SCHEMBL6529631

SCHEMBL6529631

Cc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1cccc(C(N)=C2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.40
AURKA O14965 2/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
CCR6 P51684 1/20 0.37
TNNI3K Q59H18 1/20 0.36
MAPK1 P28482 1/20 0.34
SCN9A Q15858 1/20 0.34
MAOA P21397 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
POLB P06746 1/20 0.33
XPO1 O14980 1/20 0.33
PTGS1 P23219 2/20 0.33
KMT2A Q03164 1/20 0.33
MAP3K12 Q12852 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL6529633 0.80 ALDH1A1 (0.42) TRPV1AURKARPS6KB1AURKBTNNI3K
SCHEMBL6478224 0.79 TRPV1 (0.48) TRPV1AURKARPS6KB1AURKBTNNI3K
SCHEMBL6033610 0.70 TRPV1 (0.60) TRPV1
SCHEMBL5820279 0.69 TRPV1 (0.56) TRPV1TNNI3K
SCHEMBL5801218 0.69 TRPV1 (0.58) TRPV1GAAGSK3AGSK3BPOLB
SCHEMBL6033061 0.68 TRPV1 (0.50) TRPV1TNNI3KGAAPOLB
SCHEMBL5809165 0.68 TRPV1 (0.64) TRPV1
SCHEMBL6478367 0.67 TRPV1 (0.58) TRPV1AURKARPS6KB1
SCHEMBL5800142 0.66 TRPV1 (0.50) TRPV1TNNI3K
SCHEMBL6033564 0.66 TRPV1 (0.48) 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 TRPV1 11/4885AURKA 4710/4885RPS6KB1 1271/4885

“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.