SCHEMBL4888075

SCHEMBL4888075

CCCc1nc2c(C)cc(NC(=O)[C@H](CS)CC3CC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.71
AGTR2 P50052 9/20 0.70
MME P08473 1/20 0.60
PPARG P37231 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
USP2 O75604 1/20 0.58
ABCB11 O95342 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CHRM2 P08172 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
CYP2C9 P11712 1/20 0.58
ACE P12821 1/20 0.58
ADRA2C P18825 1/20 0.58
TBXA2R P21731 1/20 0.58
GLRA1 P23415 1/20 0.58

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
SCHEMBL4888093 1.00 AGTR1 (0.71) AGTR1AGTR2MMEPPARGKDM4E
SCHEMBL4887614 0.90 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL4887623 0.90 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL3640708 0.90 AGTR1 (0.67) AGTR1AGTR2MME
SCHEMBL4888433 0.89 AGTR1 (0.74) AGTR1AGTR2MMEPPARG
SCHEMBL4876922 0.89 AGTR1 (0.74) AGTR1AGTR2MMEPPARG
SCHEMBL4876944 0.89 AGTR1 (0.74) AGTR1AGTR2MMEPPARG
SCHEMBL4886490 0.87 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL4886507 0.87 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL3638358 0.87 AGTR1 (0.68) AGTR1AGTR2MME

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 3/4885MME 6/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885MME 6/4885

“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.