SCHEMBL4717847

SCHEMBL4717847

Cc1cc2c(Nc3cc(-c4ccc(OC(F)(F)F)cc4)ncn3)c(F)ccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.51
BCR P11274 16/20 0.51
FAAH O00519 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4716125 0.87 TRPV1 (0.53) ABL1BCRFAAH
SCHEMBL4718519 0.85 ALDH1A1 (0.40) FAAHMAPK1
SCHEMBL4717973 0.76 TRPV1 (0.40) ABL1BCRMAPT
SCHEMBL4761604 0.75 TRPV1 (0.41)
SCHEMBL18231590 0.74 ABL1 (0.76) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL4715587 0.73 ABL1 (0.50) ABL1BCRFAAHMAPK1
SCHEMBL4719799 0.72 SYK (0.40) ABL1BCR
SCHEMBL4715948 0.72 TRPV1 (0.53) ABL1BCRFAAHMAPK1
Hydrochloric Acid SCHEMBL28074538 0.72 ABL1 (0.61) ABL1BCRFAAHKDM4EMAPT
SCHEMBL18696372 0.72 ABL1 (0.76) ABL1BCRKDM4EMAPTMAPK1

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 ABL1 3380/4885BCR 2892/4885FAAH 2184/4885

“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.