SCHEMBL244508

SCHEMBL244508

O=C(Cc1ccc(F)cc1)N[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SIGMAR1 Q99720 2/20 0.51

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
SCHEMBL244507 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL244506 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL4759499 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL245107 0.81
SCHEMBL246854 0.81
SCHEMBL244066 0.81
SCHEMBL245106 0.81
SCHEMBL246281 0.79
SCHEMBL246280 0.79
SCHEMBL246282 0.79

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 15 patents. 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-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
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
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-20120004428-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) 2012-01-05 US disclosed
US-8017791-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) 2011-09-13 US disclosed
US-7915433-B2 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) 2011-03-29 US 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
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
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

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

For each of this compound's patents that has machine-readable text (6 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 CYP3A4 89/4885CYP2D6 71/4885CYP2C9 173/4885
US-20120004428-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 CYP3A4 90/4885CYP2D6 68/4885CYP2C9 197/4885
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 CYP3A4 89/4885CYP2D6 71/4885CYP2C9 173/4885
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 CYP3A4 90/4885CYP2D6 68/4885CYP2C9 197/4885
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 CYP3A4 88/4885CYP2D6 68/4885CYP2C9 205/4885
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 CYP3A4 113/4885CYP2D6 76/4885CYP2C9 211/4885

“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.