SCHEMBL2141

SCHEMBL2141

CCCCCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
PTPN1 P18031 1/20 0.39
LTB4R2 Q9NPC1 7/20 0.38
AGTR1 P30556 4/20 0.38
KDM5A P29375 2/20 0.38
KDM4A O75164 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
AGTR2 P50052 1/20 0.38
ABCB11 O95342 1/20 0.38
GP6 Q9HCN6 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
MME P08473 1/20 0.37

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
SCHEMBL2438545 0.91 FFAR1 (0.48) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL2700 0.90 AGTR1 (0.47) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL2034 0.90 AGTR1 (0.47) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL2443439 0.89 LTB4R2 (0.44) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL2780 0.87 FFAR1 (0.35) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL1809623 0.85 AGTR1 (0.54) FFAR1AKR1B1LTB4R2AGTR1ABCB11
SCHEMBL29378073 0.85 AGTR1 (0.54) FFAR1AKR1B1LTB4R2AGTR1ABCB11
SCHEMBL2140 0.85 AGTR1 (0.54) FFAR1AKR1B1LTB4R2AGTR1ABCB11
SCHEMBL2989 0.84 FFAR1 (0.43) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL2980 0.83 AGTR1 (0.42) FFAR1AKR1B1OXTRAVPR1APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US disclosed
EP-2260018-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-15 EP disclosed
WO-2010133909-A2 PROCESS FOR PREPARATION OF 5-SUBSTITUTED TETRAZOLES SMS PHARMACEUTICALS LIMITED (IN) 2010-11-25 WO disclosed
WO-2009125416-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2009-10-15 WO disclosed
US-7361770-B2 Process for preparation of valsartan HETERO DRUGS LIMITED (IN) 2008-04-22 US disclosed
US-20060100443-A1 Novel process for preparation of valsartan HETERO DRUGS LIMITED (IN) 2006-05-11 US disclosed
WO-2005049588-A1 PROCESS FOR ISOLATION OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO disclosed
WO-2004111018-A1 A NOVEL PROCESS FOR PREPARATION OF VALSARTAN HETERO DRUGS LIMITED (IN) 2004-12-23 WO disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 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-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE REN, AGT, ACE FFAR1 2643/4885AKR1B1 139/4885OXTR 1774/4885
US-20060100443-A1 Novel process for preparation of valsartan ACE, REN, AGT FFAR1 1526/4885AKR1B1 369/4885OXTR 2606/4885

“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.