SCHEMBL4884818

SCHEMBL4884818

CCCc1nc2c(C)cc(N)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 16/20 0.60
AGTR2 P50052 10/20 0.60
PPARG P37231 3/20 0.59
KDM4E B2RXH2 1/20 0.57
ABCC3 O15438 1/20 0.57
ABCC4 O15439 1/20 0.57
USP2 O75604 1/20 0.57
ABCB11 O95342 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CHRM2 P08172 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
CYP2C9 P11712 1/20 0.57
ACE P12821 1/20 0.57
ADRA2C P18825 1/20 0.57
TBXA2R P21731 1/20 0.57
GLRA1 P23415 1/20 0.57
PDE4A P27815 1/20 0.57

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
SCHEMBL4562990 0.91 AGTR1 (0.61) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8942670 0.91 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL14855499 0.90 AGTR1 (0.60) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8847586 0.89 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL3635454 0.89 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL3635279 0.89 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL3642104 0.88 PPARG (0.76) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8942828 0.87 AGTR1 (0.57) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL9410705 0.87 AGTR1 (0.54) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8848022 0.86 AGTR1 (0.57) AGTR1AGTR2PPARGKDM4EABCC3

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-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
US-5521177-A ANGIOTENSIN ANTAGONIST FOR CARDIOVASCULAR DISORDERS SUCH AS ISCHEMIA OR CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS COGNITIVE FUNCTIONS, DEPRESSION, ALZHEIMER'S DISEASE OR PARKINSON'S SYNDROME DR. KARL THOMAE GMBH (DE) 1996-05-28 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 3/4885PPARG 1705/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885PPARG 1705/4885

“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.