SCHEMBL2943529

SCHEMBL2943529

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
SCHEMBL6951241 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383951-A1 METHODS FOR TREATING DEPENDENCE BIOTIE THERAPIES INC (US) 2020-12-10 US disclosed
EP-3617195-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2020-03-04 EP disclosed
US-10561638-B2 Methods for treating dependence BIOTIE THERAPIES, INC. (US) 2020-02-18 US disclosed
EP-3251670-A1 METHODS FOR TREATING DEPENDENCE Biotie Therapies, Inc. (US) 2017-12-06 EP disclosed
EP-2182804-B1 METHODS FOR TREATING DEPENDENCE BIOTIE THERAPIES INC (US) 2017-05-24 EP disclosed
US-9320271-B2 Microbial composition DOW GLOBAL TECHNOLOGIES LLC (US) 2016-04-26 US disclosed
US-20140356230-A1 MICROBIAL COMPOSITION ROHM AND HAAS COMPANY (US) 2014-12-04 US disclosed
US-20140099336-A1 Methods for Treating Dependence BIOTIE THERAPIES, INC. (US) 2014-04-10 US disclosed
WO-2012171114-A1 SYNTHETIC EPIGALLOCATECHIN GALLATE (EGCG) ANALOGS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-12-20 WO disclosed
CN-101951912-A Treatment of post-traumatic stress disorder SYNOSIA THERAPEUTICS 2011-01-19 CN disclosed
CN-101815438-A Method of treating dependency SYNOSIA THERAPEUTICS INC 2010-08-25 CN disclosed
US-7750135-B2 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-07-06 US disclosed
US-7750135-B2 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-07-06 US disclosed
US-7750135-B2 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-07-06 US disclosed
US-20090054403-A1 Treatment of Post-Traumatic Stress Disorder SYNOSIA THERAPEUTICS (US) 2009-02-26 US disclosed
US-20090041800-A1 Methods for Treating Dependence SYNOSIA THERAPEUTICS, INC. (US) 2009-02-12 US disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 US disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 US disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 US disclosed
WO-2008013949-A2 MOLECULAR DESIGN OF THERMOSTABLE ALCOHOL DEHYDROGENASE FOR SYNTHESIS FOR CHIRAL AROMATIC ALCOHOLS MICHIGAN STATE UNIVERSITY (US) 2008-01-31 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 (2 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-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols ADH5, ADH1C, ADH1A ANPEP 481/4885PLAU 4474/4885CYP1A2 51/4885
US-20140356230-A1 MICROBIAL COMPOSITION CD14, COMT, DRD4 ANPEP 4013/4885PLAU 4848/4885CYP1A2 127/4885

“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.