SCHEMBL6492140

SCHEMBL6492140

COc1cccc([C@H](O)CO)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
CYP3A4 P08684 1/20 0.53
GRIN2B Q13224 2/20 0.49
CASR P41180 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL30988827 1.00 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL16419134 1.00 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL30988794 1.00 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL22785842 1.00 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6490320 0.86 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL801059 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL3920742 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7784227 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7102577 0.85 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL1445942 0.84 AOC3 (0.69) AOC3L3MBTL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 US disclosed
EP-2822928-B1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr Reddys Laboratories Ltd (IN) 2018-11-14 EP disclosed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 US disclosed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 US disclosed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 US disclosed
US-9487510-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-11-08 US disclosed
US-20160097063-A1 Production Of Enantiopure alpha-Hydroxy Carboxylic Acids From Alkenes By Cascade Biocatalysis NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-04-07 US disclosed
US-20160097063-A1 Production Of Enantiopure alpha-Hydroxy Carboxylic Acids From Alkenes By Cascade Biocatalysis NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-04-07 US disclosed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 US disclosed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 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 (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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 AOC3 1464/4885L3MBTL1 1342/4885CHRM2 3723/4885
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 AOC3 1068/4885L3MBTL1 2398/4885CHRM2 123/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 AOC3 1069/4885L3MBTL1 2424/4885CHRM2 120/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 AOC3 1069/4885L3MBTL1 2424/4885CHRM2 120/4885

“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.