SCHEMBL4715516

SCHEMBL4715516

Cc1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ccn3)cc(C(F)(F)F)cc2cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.42
PSEN2 P49810 7/20 0.42
APH1B Q8WW43 7/20 0.42
NCSTN Q92542 7/20 0.42
APH1A Q96BI3 7/20 0.42
PSENEN Q9NZ42 7/20 0.42
CYP2D6 P10635 5/20 0.42
MAPK10 P53779 3/20 0.41
SYK P43405 3/20 0.40
ABL1 P00519 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
CYP3A4 P08684 1/20 0.38
KIF11 P52732 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL4717911 0.89 TRPV1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4719518 0.85 KDM4E (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4715973 0.83 TRPV1 (0.57) ABL1TRPV1
SCHEMBL4719945 0.82 MAPK10 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4719799 0.81 SYK (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4715954 0.78 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4716002 0.76 MAPKAPK2 (0.42) MAPK10SYKABL1MAPKAPK2KIF11
SCHEMBL4717881 0.76 MAPT (0.53) MAPK10TRPV1MAPKAPK2
SCHEMBL4716610 0.75 TRPV1 (0.45) MAPK10TRPV1CYP3A4
SCHEMBL4717889 0.74 MAPK10 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 4099/4885PSEN2 3639/4885APH1B 4116/4885

“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.