SCHEMBL650437

SCHEMBL650437

CCCc1cc(C(=O)N[C@@H](CC(=O)O)Cc2ccccc2Br)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.40

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
SCHEMBL650438 1.00 AGTR2 (0.40) AGTR2
SCHEMBL994993 0.92 AGTR2 (0.40) AGTR2
SCHEMBL653062 0.92 AGTR2 (0.43) AGTR2
SCHEMBL994840 0.92 AGTR2 (0.43) AGTR2
SCHEMBL654769 0.92 AGTR2 (0.40) AGTR2
SCHEMBL656184 0.92 AGTR2 (0.42) AGTR2
SCHEMBL656183 0.92 AGTR2 (0.42) AGTR2
SCHEMBL994821 0.90 AGTR1 (0.44)
SCHEMBL652136 0.90 AGTR1 (0.44)
SCHEMBL656100 0.87 AGTR2 (0.43) AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822522-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-02 US disclosed
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-09-19 US disclosed
US-8350027-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2013-01-08 US disclosed
US-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 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 (3 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-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR2 2/4885
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR2 2/4885
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR2 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.