SCHEMBL1258249

SCHEMBL1258249

CCCCc1ncc(C(=O)NC(CC(=O)NO)CC(C)C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.55
MME P08473 1/20 0.55
AGTR2 P50052 5/20 0.53

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
SCHEMBL1258858 0.91 AGTR1 (0.63) AGTR1MMEAGTR2
SCHEMBL1258216 0.86 AGTR1 (0.54) AGTR1MMEAGTR2
SCHEMBL1257745 0.83 AGTR1 (0.52) AGTR1MMEAGTR2
SCHEMBL1258431 0.83 MME (0.36) AGTR1MME
SCHEMBL1257907 0.82 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL3632902 0.81 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL3627626 0.80 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL21124900 0.80 AGTR1 (0.53) AGTR1MMEAGTR2
SCHEMBL21125524 0.80 AGTR1 (0.54) AGTR1MMEAGTR2
SCHEMBL1257992 0.79 MME (0.42) AGTR1MME

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-8158659-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2012-04-17 US disclosed
US-20110281925-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-17 US disclosed
US-8013005-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-09-06 US disclosed
US-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-04-21 US disclosed
US-7879896-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2011-02-01 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-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 13/4885AGTR2 2/4885
US-20110281925-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 5/4885AGTR2 2/4885

“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.