SCHEMBL1870686

SCHEMBL1870686

COc1ccc2c(c1)OC(CO)CO2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.63
FFAR1 O14842 3/20 0.53
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
ALOX5 P09917 5/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL29444764 1.00 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAALOX5
SCHEMBL6982719 1.00 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAALOX5
SCHEMBL11484008 0.94 MTNR1A (0.56) MTNR1AFFAR1MAPTGAAALOX5
SCHEMBL28716707 0.89 FFAR1 (0.54) MTNR1AFFAR1MAPTGAAALDH1A1
SCHEMBL28720097 0.89 FFAR1 (0.54) MTNR1AFFAR1MAPTGAAALDH1A1
SCHEMBL7199006 0.85 MTNR1A (0.60) MTNR1AFFAR1MAPTGAAALOX5
SCHEMBL9208736 0.85 MTNR1A (0.60) MTNR1AFFAR1MAPTGAAALOX5
SCHEMBL9206095 0.85 MTNR1A (0.60) MTNR1AFFAR1MAPTGAAALOX5
SCHEMBL28714659 0.84 FFAR1 (0.50) MTNR1AFFAR1MAPTGAAPOLB
SCHEMBL28937417 0.84 FFAR1 (0.50) MTNR1AFFAR1MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092774-B Aromatic propionic acid derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-04-08 CN disclosed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 WO disclosed
EP-0565732-B1 BENZODIOXANE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-01-14 EP disclosed
US-5480905-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0565732-A1 BENZODIOXANE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-10-20 EP disclosed
US-4539413-A Preparation of 3-amino-1-[(1,4-benzodioxan)-2-yl-methoxy]-2-propanols PIERRE FABRE S.A. (FR) 1985-09-03 US disclosed
US-4456614-A HYPOTENSIVE, AND ANTIARRHYTHMIA AGENT PIERRE FABRE S.A. (FR) 1984-06-26 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 (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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 MTNR1A 73/4885FFAR1 2523/4885MAPT 1167/4885
US-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885FFAR1 612/4885MAPT 3970/4885

“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.