SCHEMBL6033642

SCHEMBL6033642

Cc1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.56
TRPV1 Q8NER1 9/20 0.48
CNR1 P21554 1/20 0.48
EGFR P00533 1/20 0.48
TTBK1 Q5TCY1 1/20 0.46
EPHX2 P34913 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
FLT3 P36888 1/20 0.43

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
SCHEMBL10952199 0.84 DHODH (0.59) DHODHTRPV1CNR1EGFRTTBK1
SCHEMBL6034099 0.82 TRPV1 (0.47) DHODHTRPV1CNR1EGFRTTBK1
SCHEMBL16363381 0.82 EGFR (0.54) TRPV1EGFRTTBK1
SCHEMBL769494 0.82 EGFR (0.54) DHODHTRPV1CNR1EGFRTTBK1
SCHEMBL3402796 0.81 ABL1 (0.56) DHODHTTBK1
SCHEMBL6473517 0.81 CNR1 (0.48) DHODHTRPV1CNR1EGFRTTBK1
SCHEMBL6033031 0.81 TRPV1 (0.44) TRPV1
Hydrochloric Acid SCHEMBL4203714 0.81 EGFR (0.53) DHODHTRPV1CNR1EGFRTTBK1
SCHEMBL855999 0.79 EGFR (0.54) EGFRTTBK1DYRK1ADYRK1B
SCHEMBL857372 0.77 MAPT (0.55) EGFRTTBK1

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 DHODH 3804/4885TRPV1 11/4885CNR1 3/4885

“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.