SCHEMBL4716112

SCHEMBL4716112

Cc1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)cccc2n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.39
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 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
TRPV1 Q8NER1 2/20 0.35
BMI1 P35226 2/20 0.35
KIF11 P52732 1/20 0.34
METAP2 P50579 1/20 0.34
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
SRC P12931 1/20 0.33
SCN9A Q15858 2/20 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
SCHEMBL4715440 0.87 TRPV1 (0.44) MAPK10GRIN1GRIN2BTRPV1KIF11
SCHEMBL4715985 0.85 MAPK10 (0.44) MAPK10TRPV1
SCHEMBL4819487 0.83 TRPV1 (0.55) TRPV1
SCHEMBL4718707 0.82 TRPV1 (0.44) MAPK10KDM4EALDH1A1LMNACYP1A2
SCHEMBL4720717 0.82 TRPV1 (0.56) TRPV1
SCHEMBL4819485 0.78 TRPV1 (0.47) ALDH1A1CYP1A2HPGDTRPV1
SCHEMBL4715977 0.77 MAPK10 (0.43) MAPK10KDM4EALDH1A1LMNACYP1A2
SCHEMBL4718506 0.76 MAPT (0.53) MAPK10KDM4EALDH1A1LMNACYP1A2
SCHEMBL4716610 0.76 TRPV1 (0.45) MAPK10KDM4EALDH1A1LMNACYP1A2
SCHEMBL4719647 0.76 MAPK10 (0.52) MAPK10TRPV1

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 3 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

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 3522/4885GRIN1 93/4885GRIN2B 189/4885

“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.