SCHEMBL1258896

SCHEMBL1258896

CCCCc1ccc(C(N)C(=O)OC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
AGTR1 P30556 5/20 0.45
AGTR2 P50052 3/20 0.45

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
SCHEMBL1258897 0.80 ACHE (0.53) ACHE
SCHEMBL9533449 0.76 AGTR1 (0.55) ACHEAGTR1AGTR2
SCHEMBL9427847 0.75 ACHE (0.48) ACHE
SCHEMBL9427691 0.74 ACHE (0.49) ACHE
SCHEMBL7491016 0.74 AGTR2 (0.76) ACHEAGTR1AGTR2
SCHEMBL9531652 0.73 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9199586 0.73 ACHE (0.52) ACHEAGTR1AGTR2
SCHEMBL9532908 0.72 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9532747 0.72 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8392990 0.72 AGTR1 (0.76) AGTR1AGTR2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-09 US disclosed
US-9012485-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 US disclosed
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-05 US disclosed
EP-2146963-B1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R & D IP LLC (US) 2014-12-17 EP disclosed
US-8895755-B2 Intermediates for preparing dual-acting benzyl triazole antihypertensive agents having angiotensin II type I receptor antagonist activity and neprilysin-inhibition activity THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-25 US disclosed
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-09 US disclosed
US-8664254-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-01-23 US disclosed
US-20120264752-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-18 US disclosed
US-8236846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120165381-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-06-28 US disclosed
US-8158659-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2012-04-17 US disclosed
US-20110281925-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-17 US disclosed
US-8013005-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-09-06 US disclosed
US-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-04-21 US disclosed
US-7879896-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2011-02-01 US disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 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 (10 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-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 754/4885AGTR1 1/4885AGTR2 2/4885
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 ACHE 1888/4885AGTR1 3/4885AGTR2 1/4885
US-20110281925-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 916/4885AGTR1 1/4885AGTR2 2/4885
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 754/4885AGTR1 1/4885AGTR2 2/4885
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 754/4885AGTR1 1/4885AGTR2 2/4885
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 916/4885AGTR1 1/4885AGTR2 2/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN ACHE 716/4885AGTR1 1/4885AGTR2 2/4885
US-20120165381-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 754/4885AGTR1 1/4885AGTR2 2/4885
US-20120264752-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 916/4885AGTR1 1/4885AGTR2 2/4885
US-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ACHE 916/4885AGTR1 1/4885AGTR2 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.