SCHEMBL489084

SCHEMBL489084

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nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.51
SLC1A3 P43003 3/20 0.48
SLC1A2 P43004 3/20 0.48
CPA1 P15085 1/20 0.46
LAP3 P28838 2/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.40
SLC7A5 Q01650 1/20 0.40
MME P08473 3/20 0.40
ALDH1A1 P00352 1/20 0.39
ACE P12821 1/20 0.38
SLC1A1 P43005 2/20 0.37
KISS1R Q969F8 1/20 0.35

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
SCHEMBL489085 1.00 CPB2 (0.51) CPB2SLC1A3SLC1A2CPA1LAP3
SCHEMBL6351551 0.84 CPB2 (0.60) CPB2SLC1A3SLC1A2MMEACE
Hydrochloric Acid SCHEMBL10549891 0.82 CPB2 (0.58) CPB2SLC1A3SLC1A2MMEACE
SCHEMBL1708851 0.82 CPB2 (0.42) CPB2SLC1A3SLC1A2CPA1LAP3
SCHEMBL9068636 0.82 CPB2 (0.39) CPB2SLC1A3SLC1A2CPA1RNPEP
SCHEMBL9068534 0.81 ACE (0.43) CPB2CPA1MMEALDH1A1ACE
SCHEMBL10920363 0.81 ACE (0.43) CPB2CPA1MMEALDH1A1ACE
SCHEMBL9067765 0.79 ALDH1A1 (0.54) MMEALDH1A1
SCHEMBL6469867 0.78 CPB2 (0.55) CPB2SLC1A3SLC1A2MMEACE
SCHEMBL11438523 0.78 CPB2 (0.55) CPB2SLC1A3SLC1A2MMEACE

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 125 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-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 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-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-09 US disclosed
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-09 US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO 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
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
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
WO-2003104200-A1 N-MERCAPTOACYL PHENYALANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-12-18 WO disclosed
EP-0067429-B1 INHIBITORS OF MAMMALIAN COLLAGENASE E.R. Squibb & Sons, Inc. (US) 1986-04-16 EP disclosed
US-4424354-A MERCAPTOALKANOYL DERIVATIVES OF PEPTIDES E. R. SQUIBB & SONS, INC. (US) 1984-01-03 US disclosed
US-4382081-A ANTIARRTHRITIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1983-05-03 US disclosed
EP-0067429-A1 Inhibitors of mammalian collagenase E.R. Squibb & Sons, Inc. (US) 1982-12-22 EP 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-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 CPB2 641/4885SLC1A3 1616/4885SLC1A2 1233/4885
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN CPB2 1957/4885SLC1A3 2173/4885SLC1A2 2436/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 CPB2 1605/4885SLC1A3 2380/4885SLC1A2 2877/4885

“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.