SCHEMBL651065

SCHEMBL651065

CCCc1cc(C(=O)N[C@@H](CS)CC(C)C)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.39
MME P08473 6/20 0.39
AGTR2 P50052 13/20 0.34
ECE1 P42892 1/20 0.34
BDKRB1 P46663 1/20 0.31

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
SCHEMBL653979 0.91 MME (0.42) AGTR1MMEAGTR2
SCHEMBL653014 0.89 MME (0.38) AGTR1MME
SCHEMBL652695 0.88 MME (0.43) AGTR1MMEAGTR2ECE1BDKRB1
SCHEMBL652998 0.86 MME (0.49) AGTR1MMEAGTR2ECE1
SCHEMBL1927466 0.86 MME (0.49) AGTR1MMEAGTR2ECE1
SCHEMBL652672 0.85 MME (0.42) MME
SCHEMBL652673 0.85 MME (0.42) MME
SCHEMBL3702552 0.84 AGTR1 (0.40) AGTR1AGTR2BDKRB1
SCHEMBL651498 0.83 MME (0.39) AGTR1MMEAGTR2
SCHEMBL651499 0.83 MME (0.39) AGTR1MMEAGTR2

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 4 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-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-10 US disclosed
US-7956054-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2011-06-07 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 (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-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 10/4885AGTR2 2/4885
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885MME 13/4885AGTR2 3/4885

“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.