SCHEMBL2127214

SCHEMBL2127214

CCCc1nc2c(C)cc(C(=O)N[C@@H](CC(=O)NOCc3ccccc3)Cc3ccccc3)cc2n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 0.57
AGTR2 P50052 2/20 0.51

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
SCHEMBL2124875 0.94 AGTR1 (0.54) AGTR1
SCHEMBL2125878 0.91 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL2126682 0.89 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL4887978 0.87 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL13814579 0.87 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL2127380 0.86 AGTR1 (0.58) AGTR1
SCHEMBL4884075 0.84 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL2126957 0.83 TLR7 (0.44) AGTR1AGTR2
SCHEMBL2606670 0.83 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL4889618 0.83 AGTR1 (0.56) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513432-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2013-08-20 US disclosed
US-8513432-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2013-08-20 US disclosed
US-8513432-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2013-08-20 US disclosed
US-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-09-20 US disclosed
US-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-09-20 US disclosed
US-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-09-20 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
EP-2225210-B1 Dual-acting benzoimidazole derivative and their use as antihypertensive agents THERAVANCE INC (US) 2012-04-25 EP disclosed
EP-2225210-B1 Dual-acting benzoimidazole derivative and their use as antihypertensive agents THERAVANCE INC (US) 2012-04-25 EP disclosed
WO-2009076288-A1 DUAL-ACTING BENZOIMIDAZOLE DERIVATIVE AND THEIR USE AS ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-06-18 WO disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 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-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885

“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.