SCHEMBL996658

SCHEMBL996658

CCCc1cc(C(=O)N[C@@H](CS)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.36
CTRB1 P17538 1/20 0.35
ECE1 P42892 1/20 0.35
AGTR1 P30556 3/20 0.34
AGTR2 P50052 2/20 0.34
BRS3 P32247 1/20 0.32

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
SCHEMBL656768 0.93 CTSA (0.38) MMEAGTR1AGTR2
SCHEMBL656769 0.93 CTSA (0.38) MMEAGTR1AGTR2
SCHEMBL654760 0.91 MME (0.37) MMEAGTR1AGTR2
SCHEMBL654761 0.91 MME (0.37) MMEAGTR1AGTR2
SCHEMBL652532 0.90 MME (0.40) MMECTRB1AGTR1
SCHEMBL654096 0.90 MME (0.35) MMEAGTR1AGTR2
SCHEMBL654097 0.90 MME (0.35) MMEAGTR1AGTR2
SCHEMBL653054 0.89 MME (0.35) MMEAGTR1AGTR2
SCHEMBL653740 0.89 MME (0.35) MMEAGTR1AGTR2BRS3
SCHEMBL653741 0.89 MME (0.35) MMEAGTR1AGTR2BRS3

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-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 MME 10/4885CTRB1 249/4885ECE1 15/4885

“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.