SCHEMBL13865684

SCHEMBL13865684

Cc1nccc2c(NC(=O)NC3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
METAP1 P53582 1/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PHGDH O43175 1/20 0.46
TRPV1 Q8NER1 3/20 0.45
GRM4 Q14833 1/20 0.45
PAK1 Q13153 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
KIT P10721 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
SCHEMBL13865712 0.94 PAK1 (0.46) CYP2C9CYP2C19ALDH1A1KDM4EHPGD
SCHEMBL13865721 0.87 PAK1 (0.47) KDM4ETRPV1PAK1TRPM8KIT
SCHEMBL13865718 0.85 TRPV1 (0.47) KDM4ETRPV1PAK1TRPM8KIT
SCHEMBL13865720 0.84 PAK1 (0.50) KDM4ESMN1; SMN2TRPV1PAK1
SCHEMBL13865722 0.84 TRPV1 (0.45) KDM4ETRPV1PAK1
SCHEMBL13865719 0.82 TRPV1 (0.44) KDM4EMEN1KMT2ATRPV1PAK1
SCHEMBL13865728 0.81 PAK1 (0.43) MAPTTRPV1PAK1TRPM8HTT
SCHEMBL13841568 0.81 TRPV1 (0.42) CYP2C9CYP2C19KDM4EMAPTGAA
SCHEMBL13865715 0.80 TRPV1 (0.54) KDM4EGAATRPV1PAK1KIT
SCHEMBL13865714 0.80 TRPV1 (0.43) KDM4EMEN1KMT2ATRPV1PAK1

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-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ CYP2C9 437/4885CYP2C19 455/4885ALDH1A1 1439/4885

“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.