SCHEMBL4716610

SCHEMBL4716610

Cc1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)cccc2cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.45
MAPK10 P53779 1/20 0.41
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.35
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
CYP3A4 P08684 1/20 0.35
JAK2 O60674 1/20 0.34
CDK2 P24941 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL4719518 0.89 KDM4E (0.36) TRPV1MAPK10KDM4EALDH1A1LMNA
SCHEMBL4717911 0.86 TRPV1 (0.48) TRPV1MAPK10THRB
SCHEMBL4718506 0.84 MAPT (0.53) TRPV1MAPK10MAPTTHRBKDM4E
SCHEMBL4716003 0.83 MAPK10 (0.38) TRPV1MAPK10KDM4EALDH1A1LMNA
SCHEMBL4715596 0.83 TRPV1 (0.58) TRPV1MAPTKDM4EALDH1A1
SCHEMBL4715618 0.82 CDK2 (0.35) TRPV1KDM4EALDH1A1LMNACYP1A2
SCHEMBL4718629 0.81 MAPK10 (0.43) TRPV1MAPK10KDM4EALDH1A1LMNA
SCHEMBL4717193 0.81 TRPV1 (0.53) TRPV1MAPK10MAPTLMNA
SCHEMBL4715969 0.81 TRPV1 (0.69) TRPV1THRB
SCHEMBL4719647 0.81 MAPK10 (0.52) TRPV1MAPK10MAPT

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 TRPV1 40/4885MAPK10 3522/4885MAPT 4864/4885

“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.