SCHEMBL4716366

SCHEMBL4716366

Cc1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2nn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.60
MAPT P10636 2/20 0.53
ABL1 P00519 3/20 0.49
BCR P11274 3/20 0.49
FAAH O00519 1/20 0.43
THRB P10828 1/20 0.42
MAPK10 P53779 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4717881 0.84 MAPT (0.53) TRPV1MAPTTHRBMAPK10KDM4E
SCHEMBL4715969 0.83 TRPV1 (0.69) TRPV1ABL1BCRFAAHTHRB
SCHEMBL1011763 0.81 TRPV1 (0.64) TRPV1ABL1BCRFAAH
SCHEMBL1013757 0.80 TRPV1 (0.78) TRPV1ABL1BCRFAAH
SCHEMBL4717536 0.80 TRPV1 (0.61) TRPV1ABL1BCRFAAHTHRB
SCHEMBL4718506 0.80 MAPT (0.53) TRPV1MAPTTHRBMAPK10KDM4E
SCHEMBL1013451 0.79 TRPV1 (0.60) TRPV1ABL1BCRFAAHMAPK10
SCHEMBL1013070 0.78 TRPV1 (0.59) TRPV1ABL1BCRFAAHTHRB
SCHEMBL4715948 0.77 TRPV1 (0.53) TRPV1ABL1BCRFAAHTHRB
SCHEMBL1013741 0.76 TRPV1 (0.62) TRPV1ABL1BCRFAAH

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 40/4885MAPT 4864/4885ABL1 3380/4885

“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.