SCHEMBL6478217

SCHEMBL6478217

Cc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1cc2c(ccc[n+]2OS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.37
TRPV1 Q8NER1 5/20 0.35
SCN9A Q15858 1/20 0.32
CCR6 P51684 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LIPE Q05469 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPT P10636 2/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6032969 0.90 TNNI3K (0.35) TNNI3KTRPV1MAPT
SCHEMBL5815583 0.89 TRPV1 (0.40) TNNI3KTRPV1SCN9ACCR6NPC1
SCHEMBL6478207 0.81 TNNI3K (0.36) TNNI3KTRPV1SCN9ACCR6LIPE
SCHEMBL6473478 0.81 TRPV1 (0.38) TNNI3KTRPV1SCN9ACCR6NPC1
SCHEMBL5797694 0.79 CCR6 (0.36) TNNI3KTRPV1SCN9ACCR6MAPK10
SCHEMBL6478213 0.78 TRPV1 (0.41) TNNI3KTRPV1LIPE
SCHEMBL6251127 0.74 TRPV1 (0.48) TRPV1
SCHEMBL6253123 0.72 TRPV1 (0.41) TNNI3KTRPV1
SCHEMBL5800142 0.70 TRPV1 (0.50) TNNI3KTRPV1
SCHEMBL5800111 0.68 TRPV1 (0.33) TRPV1

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 1 patent. 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 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 TNNI3K 2340/4885TRPV1 11/4885SCN9A 255/4885

“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.