SCHEMBL4716781

SCHEMBL4716781

Cn1ncc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)cc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BCDIN3D Q7Z5W3 3/20 0.36
BMI1 P35226 4/20 0.36
TRPV1 Q8NER1 4/20 0.35
PDE2A O00408 3/20 0.34
MAP4K1 Q92918 1/20 0.34
SCN9A Q15858 1/20 0.34
AKT1 P31749 1/20 0.33

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
SCHEMBL4715945 0.91 KDM4E (0.39) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL4718707 0.87 TRPV1 (0.44) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL4719546 0.86 MAPKAPK2 (0.41) NR3C1NR3C2BCDIN3DTRPV1
SCHEMBL4717900 0.80 TRPV1 (0.52) ALDH1A1CYP1A2HSD17B10TRPV1
SCHEMBL4716002 0.78 MAPKAPK2 (0.42) BCDIN3D
SCHEMBL4718644 0.74 TRPV1 (0.44) BCDIN3DTRPV1
SCHEMBL4715440 0.72 TRPV1 (0.44) TRPV1
SCHEMBL4715977 0.72 MAPK10 (0.43) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL4716112 0.71 MAPK10 (0.39) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL4717813 0.71 TRPV1 (0.51) TRPV1

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 NR3C1 16/4885NR3C2 17/4885KDM4E 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.