SCHEMBL2392311

SCHEMBL2392311

CCCn1cc(C(=O)N[C@@H](CS)Cc2ccccc2)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.37
AGTR1 P30556 3/20 0.37
CTRB1 P17538 1/20 0.37
ECE1 P42892 1/20 0.35

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
SCHEMBL2391529 0.87 PYGL (0.34) MMEAGTR1
SCHEMBL3265454 0.84 AGTR1 (0.39) AGTR1
SCHEMBL2390851 0.79 AGTR1 (0.41) MMEAGTR1
SCHEMBL2390833 0.79 AGTR1 (0.41) MMEAGTR1
SCHEMBL2393563 0.78 AGTR1 (0.40) MMEAGTR1
SCHEMBL2392233 0.78 AGTR1 (0.40) MMEAGTR1
SCHEMBL2393132 0.78 AGTR1 (0.37) MMEAGTR1
SCHEMBL652532 0.78 MME (0.40) MMEAGTR1CTRB1
SCHEMBL2393584 0.78 MMEL1 (0.45) MMEAGTR1
SCHEMBL2392782 0.76 AGTR1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-09-22 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-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 6/4885AGTR1 1/4885CTRB1 283/4885

“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.