SCHEMBL244975

SCHEMBL244975

C=CCCC(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
RIPK1 Q13546 1/20 0.39
TACR1 P25103 2/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
OPRD1 P41143 3/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.33
HRH1 P35367 1/20 0.33
IDH1 O75874 1/20 0.33
AOC3 Q16853 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL245680 0.80 CYP2C19 (0.53) CYP2C19RIPK1TACR1LMNAMAPK1
SCHEMBL244692 0.80 CYP2C19 (0.53) CYP2C19RIPK1TACR1LMNAMAPK1
SCHEMBL95323 0.80 RIPK1 (0.55) CYP2C19RIPK1LMNAMAPK1KDM4E
SCHEMBL7484922 0.80 RIPK1 (0.55) CYP2C19RIPK1LMNAMAPK1KDM4E
SCHEMBL8510683 0.77 HRH1 (0.50) CYP2C19LMNASMN1; SMN2ALDH1A1HRH1
SCHEMBL16103778 0.77 TACR1 (0.43) CYP2C19TACR1HRH1
SCHEMBL6247837 0.75 TRPA1 (0.47) RIPK1TACR1LMNAMAPK1KDM4E
SCHEMBL4762903 0.75 CYP2C19 (0.42) CYP2C19RIPK1LMNAMAPK1OPRD1
SCHEMBL2745411 0.74 RIPK1 (0.53) CYP2C19RIPK1LMNAMAPK1KDM4E
SCHEMBL17731120 0.73 CYP2C19 (0.42) CYP2C19RIPK1LMNAMAPK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937189-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2015-01-20 US disclosed
US-8937189-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2015-01-20 US disclosed
US-8841464-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2014-09-23 US disclosed
EP-1734948-B1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2014-06-11 EP disclosed
EP-1734948-B1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2014-06-11 EP disclosed
US-20140058120-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2014-02-27 US disclosed
US-20140058120-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2014-02-27 US disclosed
US-8519159-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-OL and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-OL analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2013-08-27 US disclosed
US-8519159-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-OL and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-OL analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2013-08-27 US disclosed
EP-1976381-B1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2013-07-24 EP disclosed
US-20100280091-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISBUSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2010-11-04 US disclosed
EP-1976381-A2 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2008-10-08 EP disclosed
US-20080167478-A1 Tri-Substituted 2-Benzhydryl-5-Benzlamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives WAYNE STATE UNIVERSITY (US) 2008-07-10 US disclosed
EP-1734948-A4 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2008-04-16 EP disclosed
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2007-11-29 US disclosed
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2007-11-29 US disclosed
WO-2007082292-A2 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2007-07-19 WO disclosed
EP-1734948-A1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2006-12-27 EP disclosed
US-20060122263-A1 Tri-substituted 2-benzhydryl-5-benzlamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-06-08 US disclosed
WO-2005105075-A1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2005-11-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060122263-A1 Tri-substituted 2-benzhydryl-5-benzlamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives TPH1, TPH2, HTR4 CYP2C19 124/4885RIPK1 4050/4885TACR1 554/4885
US-20080167478-A1 Tri-Substituted 2-Benzhydryl-5-Benzlamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives TPH1, TPH2, HTR4 CYP2C19 124/4885RIPK1 4050/4885TACR1 554/4885
US-20140058120-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES TPH1, HTR4, TPH2 CYP2C19 150/4885RIPK1 3997/4885TACR1 501/4885
US-20100280091-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISBUSTITUTED PYRAN DERIVATIVES TPH1, TPH2, HTR4 CYP2C19 137/4885RIPK1 3849/4885TACR1 618/4885
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES TPH1, TPH2, HTR4 CYP2C19 160/4885RIPK1 4260/4885TACR1 557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.