SCHEMBL6951241

SCHEMBL6951241

O[C@@H]1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.57
PLAU P00749 1/20 0.56
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
HTR1A P08908 1/20 0.47
GRIN2B Q13224 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL13998125 1.00 ANPEP (0.57) ANPEPPLAUCYP1A2CYP11B1CYP11B2
SCHEMBL291460 1.00 ANPEP (0.57) ANPEPPLAUCYP1A2CYP11B1CYP11B2
SCHEMBL2943529 1.00 ANPEP (0.57) ANPEPPLAUCYP1A2CYP11B1CYP11B2
Ammonia Solution, Strong SCHEMBL6107709 0.98 ANPEP (0.55) ANPEPPLAUCYP1A2CYP11B1CYP11B2
Water SCHEMBL22090286 0.98 ANPEP (0.55) ANPEPPLAUCYP1A2CYP11B1CYP11B2
Iodide SCHEMBL10818108 0.96 ANPEP (0.53) ANPEPPLAUCYP1A2CYP11B1CYP11B2
Sulfurous Acid SCHEMBL10813687 0.88 ANPEP (0.47) ANPEPPLAUCYP1A2CYP11B1CYP11B2
SCHEMBL885265 0.87 ANPEP (0.52) ANPEPPLAUMTNR1AMTNR1BHTR1A
SCHEMBL13482664 0.86 TSHR (0.50) ANPEPPLAUCYP1A2CYP11B1CYP11B2
Vinyl Ether SCHEMBL27610276 0.85 ANPEP (0.45) ANPEPPLAUCYP1A2CYP11B1CYP11B2

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
EP-3617195-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2020-03-04 EP disclosed
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-10 US disclosed
EP-2772476-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL HAMARI CHEMICALS LTD (JP) 2017-01-11 EP disclosed
US-9174899-B2 Method for producing optically active alcohols HAMARI CHEMICALS, LTD. (JP) 2015-11-03 US disclosed
US-20140296584-A1 Method for Producing Optically Active Alcohols HAMARI CHEMICALS, LTD. (JP) 2014-10-02 US disclosed
EP-2772476-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Hamari Chemicals, Ltd. (JP) 2014-09-03 EP disclosed
US-20100305212-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-12-02 US disclosed
US-7531329-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2009-05-12 US disclosed
US-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION 2007-08-02 US disclosed
US-7220564-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2007-05-22 US disclosed
EP-0757677-B1 BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES SYNTEX LLC (US) 2003-06-18 EP disclosed
US-5719280-A REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID SYNTEX (U.S.A.) INC. (US) 1998-02-17 US disclosed
EP-0757677-A1 BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1997-02-12 EP disclosed
US-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US disclosed
WO-1995029165-A2 BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-11-02 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 (4 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-10017458-B2 Therapeutic tetrahydronaphthalene compounds HTR2C, HTR2A, HTR3C ANPEP 4058/4885PLAU 4253/4885CYP1A2 1669/4885
US-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same PYCR1, CBR3, CBR1 ANPEP 856/4885PLAU 3411/4885CYP1A2 1019/4885
US-20140296584-A1 Method for Producing Optically Active Alcohols ADH5, ADH1C, ADH1A ANPEP 2265/4885PLAU 3355/4885CYP1A2 184/4885
US-20100305212-A1 THERAPEUTIC COMPOUNDS HTR2C, HTR3B, HTR2A ANPEP 2952/4885PLAU 3854/4885CYP1A2 1985/4885

“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.