SCHEMBL7200942

SCHEMBL7200942

COc1ccc2c(c1)OC(CCNC(C)=O)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 1.00
FFAR1 O14842 2/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
NQO2 P16083 3/20 0.49
MTNR1B P49286 3/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL5341627 0.84 MTNR1A (0.72) MTNR1AALDH1A1POLB
SCHEMBL7201020 0.81 MTNR1A (0.74) MTNR1AMAPTALDH1A1ALOX5POLB
SCHEMBL5225019 0.80 MTNR1A (0.67) MTNR1ANQO2MTNR1B
SCHEMBL132847 0.80 MTNR1A (0.66) MTNR1ANQO2MTNR1B
SCHEMBL11219443 0.78 MTNR1A (0.64) MTNR1AFFAR1MAPTGAAALDH1A1
SCHEMBL6982719 0.78 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAALDH1A1
SCHEMBL29444764 0.78 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAALDH1A1
SCHEMBL1870686 0.78 MTNR1A (0.63) MTNR1AFFAR1MAPTGAAALDH1A1
SCHEMBL5228871 0.78 MTNR1A (1.00) MTNR1ANQO2MTNR1BPOLB
SCHEMBL15870218 0.76 MTNR1A (0.61) MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052740-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-02-16 US disclosed
WO-2021041702-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 WO 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
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 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-20230052740-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF MTNR1A, PER2, MTNR1B MTNR1A 1/4885FFAR1 1363/4885MAPT 1632/4885
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.