SCHEMBL3594524

SCHEMBL3594524

CN1C(=O)C(CCO)Oc2ccc(NC(=O)/C=C3\CC4(CCC4)Oc4cc(C(F)(F)F)ccc43)cc21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.37
RORC P51449 1/20 0.35
RAF1 P04049 2/20 0.34
CYP3A4 P08684 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
SCHEMBL3603205 0.92 RAF1 (0.36) TRPV1RORCRAF1CYP3A4
SCHEMBL3601163 0.92 RORC (0.36) TRPV1RORCRAF1CYP3A4
SCHEMBL3605236 0.89 TRPV1 (0.45) TRPV1RORC
SCHEMBL3588173 0.88 TRPV1 (0.39) TRPV1RORCCYP3A4
SCHEMBL3599249 0.85 TRPV1 (0.47) TRPV1RAF1CYP3A4
SCHEMBL3598046 0.82 TRPV1 (0.42) TRPV1RORC
SCHEMBL3584552 0.82 TRPV1 (0.41) TRPV1RORC
SCHEMBL3594160 0.81 TRPV1 (0.42) TRPV1RAF1
SCHEMBL3599551 0.81 TRPV1 (0.37) TRPV1RORCCYP3A4
SCHEMBL3596991 0.81 TP53 (0.42) TRPV1RAF1

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
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO claimed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TRPV1 2518/4885RORC 1478/4885RAF1 1753/4885

“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.