SCHEMBL6529633

SCHEMBL6529633

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
RAB9A P51151 1/20 0.40
TNNI3K Q59H18 1/20 0.40
TSHR P16473 1/20 0.38
AURKA O14965 2/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 2/20 0.35
GAA P10253 1/20 0.35
NTRK1 P04629 1/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL6529631 0.80 TRPV1 (0.40) MAPK1TRPV1TNNI3KAURKARPS6KB1
SCHEMBL6478224 0.77 TRPV1 (0.48) TRPV1TNNI3KAURKARPS6KB1AURKB
SCHEMBL6033610 0.71 TRPV1 (0.60) TRPV1
SCHEMBL5820279 0.69 TRPV1 (0.56) TRPV1TNNI3KMAPK10
SCHEMBL6478367 0.69 TRPV1 (0.58) TRPV1AURKARPS6KB1
SCHEMBL6033061 0.69 TRPV1 (0.50) TRPV1TNNI3KGAAMAPK10
SCHEMBL5809165 0.68 TRPV1 (0.64) TRPV1
SCHEMBL3862485 0.68 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL5801218 0.67 TRPV1 (0.58) TRPV1MEN1KMT2AGAA
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 ALDH1A1 2879/4885CYP1A2 1165/4885CYP3A4 1567/4885

“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.