SCHEMBL6034099

SCHEMBL6034099

CC(C)(C)c1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.47
CNR1 P21554 1/20 0.46
EGFR P00533 2/20 0.46
TTBK1 Q5TCY1 1/20 0.44
DHODH Q02127 1/20 0.43
EPHX2 P34913 1/20 0.43
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
FLT3 P36888 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
SCHEMBL6033642 0.82 DHODH (0.56) TRPV1CNR1EGFRTTBK1DHODH
SCHEMBL769494 0.79 EGFR (0.54) TRPV1CNR1EGFRTTBK1DHODH
SCHEMBL6473517 0.79 CNR1 (0.48) TRPV1CNR1EGFRTTBK1DHODH
Hydrochloric Acid SCHEMBL4203714 0.78 EGFR (0.53) TRPV1CNR1EGFRTTBK1DHODH
SCHEMBL6252004 0.74 CA1 (0.65) TRPV1CNR1EGFRTTBK1FLT3
SCHEMBL10952199 0.73 DHODH (0.59) TRPV1CNR1EGFRTTBK1DHODH
SCHEMBL23389529 0.72 EPHX2 (0.48) TRPV1CNR1EGFRDHODHEPHX2
SCHEMBL29968773 0.72 EPHX2 (0.48) TRPV1CNR1EGFRDHODHEPHX2
SCHEMBL5809097 0.71 TRPV1 (0.57) TRPV1EPHX2
SCHEMBL5739752 0.69 CNR1 (0.69) TRPV1CNR1EGFRTTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 TRPV1 11/4885CNR1 3/4885EGFR 1702/4885

“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.