SCHEMBL2931754

SCHEMBL2931754

O=C(NCc1ccccc1)Nc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.49
GCGR P47871 3/20 0.47
NAMPT P43490 6/20 0.42
PPARA Q07869 3/20 0.40
EPHX2 P34913 2/20 0.40
MCHR1 Q99705 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PPARG P37231 1/20 0.38
IMPDH2 P12268 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
SCHEMBL2934476 0.91 NPC1 (0.46) TRPV1GCGRNAMPTPPARAPPARG
SCHEMBL2942206 0.91 GCGR (0.45) TRPV1GCGRMCHR1KDM5AKDM4C
SCHEMBL2938058 0.90 TRPV1 (0.50) TRPV1GCGRNAMPTPPARAEPHX2
SCHEMBL2941101 0.89 GCGR (0.46) TRPV1GCGRNAMPTMCHR1KCNH2
SCHEMBL2936066 0.89 GCGR (0.50) TRPV1GCGRNAMPTMCHR1KCNH2
SCHEMBL2938673 0.88 GCGR (0.44) TRPV1GCGRMCHR1KDM5AKDM4C
SCHEMBL2933994 0.88 EGFR (0.42) TRPV1GCGRMCHR1
SCHEMBL2938960 0.88 IGF1R (0.46) MCHR1
SCHEMBL2937927 0.87 GCGR (0.47) TRPV1GCGRMCHR1
SCHEMBL2941125 0.86 GCGR (0.45) TRPV1GCGREPHX2MCHR1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 TRPV1 4520/4885GCGR 2462/4885NAMPT 1562/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA TRPV1 4322/4885GCGR 2407/4885NAMPT 1795/4885

“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.