SCHEMBL12845083

SCHEMBL12845083

Cc1nccc2c(NC(=O)C3CCN(c4nccc(C(F)(F)F)n4)CC3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
HSD17B10 Q99714 3/20 0.54
USP2 O75604 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.51
CHRM4 P08173 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RBP4 P02753 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL12779322 0.83 DEGS1 (0.55) KDM4EHSD17B10USP2MEN1KMT2A
SCHEMBL12779461 0.82 TRPV1 (0.55) KDM4EHSD17B10USP2MEN1KMT2A
SCHEMBL12845123 0.82 CHRM4 (0.56) KDM4EHSD17B10USP2MEN1KMT2A
SCHEMBL12779444 0.81 TRPV1 (0.61) L3MBTL1TP53POLBRBP4
SCHEMBL12779458 0.81 KMT2A (0.52) KDM4EHSD17B10USP2MEN1KMT2A
SCHEMBL12779366 0.80 DEGS1 (0.53) KDM4EHSD17B10USP2LMNATSHR
SCHEMBL13485751 0.80 CHRM4 (0.59) KDM4EHSD17B10USP2MEN1KMT2A
SCHEMBL12779379 0.79 ALDH1A1 (0.48) KDM4EHSD17B10USP2LMNASMN1; SMN2
SCHEMBL12779307 0.79 RBP4 (0.52) KDM4EHSD17B10USP2MEN1KMT2A
SCHEMBL12779268 0.78 F10 (0.47) KDM4EHSD17B10USP2LMNASMN1; SMN2

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-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 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-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 KDM4E 1608/4885HSD17B10 4523/4885USP2 4339/4885

“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.