SCHEMBL654575

SCHEMBL654575

CCCc1cc(C(=O)N[C@@H](CC(=O)NO)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.41
AGTR2 P50052 15/20 0.41
MME P08473 1/20 0.41

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
SCHEMBL994638 0.93 MME (0.40) AGTR1AGTR2MME
SCHEMBL656100 0.91 AGTR2 (0.43) AGTR1AGTR2
SCHEMBL654478 0.88 MME (0.39) MME
SCHEMBL994156 0.87 MME (0.42) AGTR1AGTR2MME
SCHEMBL656184 0.84 AGTR2 (0.42) AGTR2MME
SCHEMBL656183 0.84 AGTR2 (0.42) AGTR2MME
SCHEMBL1927460 0.84 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL1075898 0.83 AGTR1 (0.41) AGTR1AGTR2MME
SCHEMBL996269 0.83 AGTR1 (0.41) AGTR1AGTR2MME
SCHEMBL651016 0.83 MME (0.43) AGTR1AGTR2MME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 US disclosed
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 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-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885AGTR2 2/4885MME 10/4885

“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.