SCHEMBL3060063

SCHEMBL3060063

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNCCC(=O)NC[C@H](S)Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
PTGER1 P34995 4/20 0.38
PTGER3 P43115 3/20 0.38
AGTR2 P50052 5/20 0.38
AGTR1 P30556 2/20 0.38
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL2969409 0.92 OPRM1 (0.40) OPRM1OPRK1PTGER1PTGER3AGTR2
SCHEMBL2976474 0.91 OPRM1 (0.44) OPRM1OPRK1PTGER1PTGER3AGTR2
SCHEMBL2974146 0.89 OPRM1 (0.41) OPRM1OPRK1PTGER1PTGER3AGTR2
SCHEMBL3060059 0.89 OPRM1 (0.42) OPRM1OPRK1PTGER1PTGER3AGTR2
SCHEMBL3050707 0.87 CD274 (0.35) OPRK1
SCHEMBL2977348 0.84 OPRM1 (0.43) OPRM1OPRK1AGTR2AGTR1KCNH2
SCHEMBL2970341 0.83 OPRM1 (0.41) OPRM1OPRK1PTGER1PTGER3AGTR2
SCHEMBL2969355 0.82 KMT2A (0.36)
SCHEMBL2969405 0.82 PLA2G1B (0.40) OPRM1OPRK1PTGER1PTGER3AGTR2
SCHEMBL2975554 0.81 BDKRB1 (0.38) OPRM1OPRK1AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC. (US) 2015-01-08 US disclosed
US-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 US disclosed
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-05-24 US disclosed
US-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-10-21 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-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 OPRM1 296/4885OPRK1 133/4885PTGER1 107/4885

“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.