SCHEMBL3965802

SCHEMBL3965802

Cc1nccc2c(NC(=O)NC3CN(C(=O)OC(C)(C)C)C3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
USP30 Q70CQ3 6/20 0.42
CCR8 P51685 1/20 0.41
POLR1A O95602 1/20 0.41
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GABRA5 P31644 1/20 0.40
GCK P35557 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL28932975 0.79 TACR1 (0.51) USP30CCR8
SCHEMBL23951570 0.79 TACR1 (0.51) USP30CCR8
SCHEMBL3962470 0.77 TRPV1 (0.48) TRPV1KDM4EEPHX1
SCHEMBL4472332 0.77 CCR5 (0.43) TRPV1KDM4EEPHX1
SCHEMBL29773631 0.77 METAP1 (0.46) TRPV1BRD4
SCHEMBL23951633 0.76 TACR1 (0.52) TRPV1CCR8
SCHEMBL21640652 0.76 USP30 (0.50) USP30POLR1AADORA2AADORA2B
SCHEMBL1351433 0.74 USP30 (0.55) TRPV1USP30EPHX1
SCHEMBL13865711 0.73 DRD2 (0.45) TRPV1KDM4ECA12CA1CA2
SCHEMBL13870115 0.71 PAK1 (0.49) TRPV1KDM4EEPHX1EPHX2

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-7528150-B2 Urea derivatives having vanilloid receptor antagonist activity GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20060178397-A1 Urea derivatives having vanilloid receptor antagonist activity GLAXO GROUP LIMITED (GB) 2006-08-10 US disclosed
EP-1608640-A2 UREA DERIVATIVES HAVING VANILLOID RECEPTOR ANTAGONIST ACTIVITY GLAXO GROUP LIMITED (GB) 2005-12-28 EP disclosed
WO-2004078101-A2 UREA DERIVATIVES HAVING VANILLOID RECEPTOR ANTAGONIST ACTIVITY GLAXO GROUP LIMITED (GB) 2004-09-16 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-20060178397-A1 Urea derivatives having vanilloid receptor antagonist activity UTS2R, TRPV1, TACR1 TRPV1 2/4885USP30 919/4885CCR8 2344/4885

“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.