SCHEMBL4716003

SCHEMBL4716003

Cc1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)ccc(F)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TNIK Q9UKE5 2/20 0.35
KIF11 P52732 3/20 0.33
MAPKAPK2 P49137 1/20 0.33
POLQ O75417 1/20 0.32
MAPK1 P28482 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL4719945 0.86 MAPK10 (0.42) MAPK10TRPV1KIF11MAPKAPK2MAPK1
SCHEMBL4715624 0.85 KDM4E (0.35) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4715618 0.84 CDK2 (0.35) TRPV1KDM4EALDH1A1LMNACYP1A2
SCHEMBL4716610 0.83 TRPV1 (0.45) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4719518 0.83 KDM4E (0.36) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4715948 0.81 TRPV1 (0.53) TRPV1ALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL4718506 0.77 MAPT (0.53) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4719647 0.74 MAPK10 (0.52) MAPK10TRPV1MAPKAPK2
SCHEMBL4718629 0.74 MAPK10 (0.43) MAPK10TRPV1KDM4EALDH1A1LMNA
SCHEMBL4715954 0.71 PSEN1 (0.39) MAPK10KIF11MAPKAPK2MAPK1PSEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 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-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 MAPK10 3522/4885TRPV1 40/4885KDM4E 4502/4885

“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.