SCHEMBL4717857

SCHEMBL4717857

Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(Nc2cccc3cnccc23)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.57
EPHX2 P34913 1/20 0.47
NPY5R Q15761 1/20 0.43
LATS1 O95835 1/20 0.42
LATS2 Q9NRM7 1/20 0.42
CCR4 P51679 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4719798 0.86 TRPV1 (0.54) TRPV1EPHX2NPY5R
SCHEMBL4716131 0.84 TRPV1 (0.62) TRPV1EPHX2LATS1LATS2CCR4
SCHEMBL4715596 0.83 TRPV1 (0.58) TRPV1EPHX2KDM4EALDH1A1MAPT
SCHEMBL4720634 0.83 ALDH1A1 (0.50) TRPV1EPHX2CCR4KDM4EALDH1A1
SCHEMBL4717837 0.82 TRPV1 (0.64) TRPV1EPHX2KDM4EALDH1A1MAPT
SCHEMBL4716832 0.78 TRPV1 (0.67) TRPV1EPHX2
SCHEMBL4719471 0.77 TRPV1 (0.55) TRPV1EPHX2NPY5RKDM4EALDH1A1
SCHEMBL4717911 0.76 TRPV1 (0.48) TRPV1
SCHEMBL4715613 0.76 TRPV1 (0.53) TRPV1NPY5RCCR4KDM4EALDH1A1
SCHEMBL4718950 0.76 CCR4 (0.44) TRPV1LATS1LATS2CCR4KDM4E

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-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO 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 (1 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-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 TRPV1 40/4885EPHX2 2062/4885NPY5R 226/4885

“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.