SCHEMBL658627

SCHEMBL658627

CCCCCn1nc(C(F)(F)F)cc1C(OC(N)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.40
SMPD1 P17405 1/20 0.39
CNR1 P21554 7/20 0.39
CNR2 P34972 4/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 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
SCHEMBL658419 0.80 SMPD2 (0.37) SMPD1CNR1
SCHEMBL659074 0.79 EPHX1 (0.40)
SCHEMBL659630 0.73 KLKB1 (0.49) KLKB1KDM4E
SCHEMBL27699443 0.70 CNR1 (0.54) KLKB1SMPD1CNR1CNR2KDM4E
SCHEMBL27727992 0.68 CNR2 (0.49) CNR1CNR2
SCHEMBL10625859 0.67 CNR1 (0.41) CNR1CNR2
SCHEMBL12506457 0.67 CNR1 (0.44) CNR1CNR2KDM4EPOLBTSHR
SCHEMBL28943994 0.67 CNR1 (0.50) KLKB1CNR1CNR2KDM4EPOLB
SCHEMBL29006267 0.66 ALDH1A1 (0.43) KLKB1KDM4EPOLBTSHR
SCHEMBL21503702 0.66 CNR1 (0.40) CNR1CNR2

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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 KLKB1 4444/4885SMPD1 3470/4885CNR1 2/4885

“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.