SCHEMBL4886490

SCHEMBL4886490

CCCc1nc2c(C)cc(NC(=O)[C@H](CS)CC3CC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 0.53
AGTR2 P50052 7/20 0.53
EDNRA P25101 1/20 0.47

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
SCHEMBL4886507 1.00 AGTR1 (0.53) AGTR1AGTR2EDNRA
SCHEMBL3633323 0.93 AGTR1 (0.54) AGTR1AGTR2EDNRA
SCHEMBL4885438 0.93 AGTR1 (0.54) AGTR1AGTR2EDNRA
SCHEMBL4877994 0.90 AGTR1 (0.57) AGTR1AGTR2EDNRA
SCHEMBL3638757 0.90 AGTR1 (0.57) AGTR1AGTR2EDNRA
SCHEMBL3639165 0.88 AGTR1 (0.56) AGTR1AGTR2EDNRA
SCHEMBL4884109 0.88 AGTR1 (0.56) AGTR1AGTR2EDNRA
SCHEMBL3639177 0.88 AGTR1 (0.56) AGTR1AGTR2EDNRA
SCHEMBL4888093 0.87 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL4888075 0.87 AGTR1 (0.71) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-20140107120-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-04-17 US disclosed
US-8637676-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2014-01-28 US disclosed
EP-2162442-B1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2012-12-19 EP disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 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-20140107120-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885EDNRA 9/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885EDNRA 9/4885

“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.