SCHEMBL3380082

SCHEMBL3380082

c1ccc(C(c2ccccc2)C2CCCCO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.55
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19493796 0.85 SLC6A3 (0.56) SLC6A3GAAHPGDL3MBTL1
SCHEMBL31618596 0.81 SLC6A3 (0.56) SLC6A3GAAHPGDL3MBTL1
SCHEMBL28970068 0.81 SLC6A3 (0.52) SLC6A3GAAHPGDL3MBTL1
SCHEMBL20776309 0.81 SLC6A3 (0.52) SLC6A3GAAHPGDL3MBTL1
SCHEMBL17086735 0.79 SLC6A3 (0.50) SLC6A3GAAHPGDL3MBTL1
SCHEMBL12846895 0.79 SLC6A3 (0.50) SLC6A3GAAHPGDL3MBTL1
SCHEMBL17086736 0.79 SLC6A3 (0.50) SLC6A3GAAHPGDL3MBTL1
SCHEMBL3820876 0.79 SLC6A3 (0.50) SLC6A3GAAHPGDL3MBTL1
SCHEMBL17086732 0.79 SLC6A3 (0.50) SLC6A3GAAHPGDL3MBTL1
SCHEMBL17113744 0.79 SLC6A3 (0.50) SLC6A3GAAHPGDL3MBTL1

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 9 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-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

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

For each of this compound's patents that has machine-readable text (3 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-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 SLC6A3 25/4885GAA 2208/4885HPGD 1277/4885
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 SLC6A3 25/4885GAA 2208/4885HPGD 1277/4885
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 SLC6A3 27/4885GAA 2530/4885HPGD 1406/4885

“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.