SCHEMBL6034040

SCHEMBL6034040

FC(F)(F)c1ccc(Nc2cc(-c3ccc4cccnc4c3)nc(OCc3cccnc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.53
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
PLK1 P53350 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
FFAR1 O14842 1/20 0.37
CTSS P25774 1/20 0.36
PTGDR Q13258 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
EPHX2 P34913 1/20 0.36
PFKFB3 Q16875 1/20 0.36

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
SCHEMBL6033058 0.84 TRPV1 (0.39) TRPV1ABL1BCREPHX2
SCHEMBL5799324 0.83 TRPV1 (0.60) TRPV1ABL1BCR
SCHEMBL5798069 0.82 TRPV1 (0.55) TRPV1ABL1BCR
SCHEMBL6032961 0.79 TRPV1 (0.65) TRPV1ABL1BCR
SCHEMBL6033817 0.78 TRPV1 (0.64) TRPV1ABL1BCREPHX2
SCHEMBL5801351 0.78 TRPV1 (0.64) TRPV1ABL1BCR
SCHEMBL5798999 0.78 TRPV1 (0.64) TRPV1ABL1BCRTRPM8
SCHEMBL5802151 0.78 TRPV1 (0.60) TRPV1ABL1BCR
SCHEMBL5814798 0.77 TRPV1 (0.49) TRPV1ABL1BCREPHX2
SCHEMBL5801168 0.77 TRPV1 (0.62) TRPV1ABL1BCRTRPM8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 11/4885CYP3A4 1567/4885CYP2C19 1781/4885

“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.