SCHEMBL13175285

SCHEMBL13175285

C[C@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(C(C)(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13111275 0.87 ESR1 (0.31)
SCHEMBL14878262 0.87 ESR1 (0.31)
SCHEMBL15381142 0.82
SCHEMBL19204391 0.78 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL15684599 0.78 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL17470176 0.78 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL15095794 0.78 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL15344715 0.77
SCHEMBL16350577 0.77 CYP3A4 (0.31) CYP3A4TDP1
SCHEMBL15344675 0.76 ROCK2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061973-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2015-06-23 US disclosed
US-8946481-B2 Process for preparing biaryl substituted 4-amino butyric acid or derivatives thereof and their use in the production of NEP inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140243546-A1 Processes NOVARTIS AG (CH) 2014-08-28 US disclosed
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
US-7799818-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2010-09-21 US disclosed
US-7598285-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2009-10-06 US disclosed
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
US-20090043106-A1 Manufacture of Lactones DSM IP ASSETS B.V. (NL) 2009-02-12 US disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 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 (5 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-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP CYP3A4 78/4885TDP1 2914/4885
US-20130066101-A1 PROCESS FOR PREPARING BIARYL SUBSTITUTED 4-AMINO BUTYRIC ACID OR DERIVATIVES THEREOF AND THEIR USE IN THE PRODUCTION OF NEP INHIBITORS MME, REN, BCAT2 CYP3A4 89/4885TDP1 3965/4885
US-20090043106-A1 Manufacture of Lactones CA1, CA12, COASY CYP3A4 257/4885TDP1 4853/4885
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance GOT2, GOT1, IAPP CYP3A4 231/4885TDP1 1581/4885
US-20140243546-A1 Processes MME, NAT1, AGTR1 CYP3A4 528/4885TDP1 1039/4885

“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.