SCHEMBL5797694

SCHEMBL5797694

Cc1c(Nc2ccc(C(F)(F)F)cn2)nc(C2CC2)nc1-c1ccc2ccc[n+](OS(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 9/20 0.36
TRPV1 Q8NER1 5/20 0.36
MAP3K12 Q12852 1/20 0.34
TNNI3K Q59H18 1/20 0.33
SCN9A Q15858 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL5800111 0.90 TRPV1 (0.33) TRPV1
SCHEMBL6481026 0.87 MAPT (0.36)
SCHEMBL5815583 0.87 TRPV1 (0.40) CCR6TRPV1TNNI3KSCN9AMAPK10
SCHEMBL6473478 0.80 TRPV1 (0.38) CCR6TRPV1TNNI3KSCN9AMAPK10
SCHEMBL5797689 0.80 TRPV1 (0.43) CCR6TRPV1MAP3K12
SCHEMBL6478217 0.79 TNNI3K (0.37) CCR6TRPV1TNNI3KSCN9AMAPK10
SCHEMBL6033605 0.77 TRPV1 (0.48) TRPV1KCNH2
SCHEMBL6033090 0.76 TRPV1 (0.43) CCR6TRPV1MAP3K12TNNI3K
SCHEMBL6478207 0.72 TNNI3K (0.36) CCR6TRPV1TNNI3KSCN9A
SCHEMBL5800107 0.70 TRPV1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006038041-A1 BESYLATE SALTS OF SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2006-04-13 WO claimed
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 CCR6 983/4885TRPV1 11/4885MAP3K12 3691/4885

“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.