SCHEMBL2126757

SCHEMBL2126757

CCCc1nc2cc(C(=O)N[C@@H](CC(=O)NOCc3ccccc3)Cc3ccccc3)cc(C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 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
SCHEMBL7891164 0.92 AGTR1 (0.47) AGTR1
SCHEMBL2127380 0.91 AGTR1 (0.58) AGTR1
SCHEMBL2126682 0.86 AGTR1 (0.45) AGTR1
SCHEMBL2126957 0.85 TLR7 (0.44) AGTR1
SCHEMBL2128426 0.83 AGTR1 (0.59) AGTR1
SCHEMBL13814577 0.83 AGTR1 (0.48) AGTR1
SCHEMBL3712686 0.81 PPARG (0.51) AGTR1
SCHEMBL4887174 0.78 AGTR1 (0.58) AGTR1
SCHEMBL14237649 0.78 AGTR1 (0.58) AGTR1
SCHEMBL2126672 0.77 AGTR1 (0.49) AGTR1

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-8513432-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2013-08-20 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
EP-2225210-B1 Dual-acting benzoimidazole derivative and their use as antihypertensive agents THERAVANCE INC (US) 2012-04-25 EP 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 (1 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-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885

“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.