SCHEMBL5481966

SCHEMBL5481966

FC(F)(F)c1cccnc1-c1cnnc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.45
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 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
SCHEMBL5918420 0.83 KCNA5 (0.33) TRPV1SCN5ASCN9A
SCHEMBL5478057 0.82 TRPV1 (0.45) TRPV1SCN5ASCN9A
SCHEMBL5918385 0.82 NOTUM (0.33) TRPV1
SCHEMBL5918391 0.81 TRPV1 (0.47) TRPV1SCN5ASCN9A
SCHEMBL5918310 0.81 CNR2 (0.43) TRPV1
SCHEMBL5471296 0.79 TRPV1 (0.47) TRPV1SCN5ASCN9A
SCHEMBL14430630 0.79 TRPV1 (0.50) TRPV1SCN5ASCN9A
SCHEMBL4718329 0.77 CYP2A6 (0.51) TRPV1
SCHEMBL5918417 0.77 GABRG2 (0.36)
SCHEMBL6430247 0.77 CYP2A6 (0.49) TRPV1SCN5ASCN9A

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-20070213332-A1 Prodrugs Of Substituted Amino Heterobicycles Which Modulate The Function Of The Vanilloid-1 Receptor (Vr1) MERCK SHARP & DOHME LTD. (GB) 2007-09-13 US disclosed
CN-1918159-A Substituted aminoheterobicyclic prodrugs that modulate vanilloid-1 receptor (VR1) function MERCK SHARP & DOHME (GB) 2007-02-21 CN disclosed
US-20060154930-A1 Substituted amino heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-07-13 US disclosed
EP-1597261-A1 SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-11-23 EP disclosed
WO-2004074290-A1 SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-09-02 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 (2 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-20060154930-A1 Substituted amino heterocycles as vr-1 antagonists for treating pain OPRL1, OPRM1, OPRK1 TRPV1 58/4885SCN5A 466/4885SCN9A 412/4885
US-20070213332-A1 Prodrugs Of Substituted Amino Heterobicycles Which Modulate The Function Of The Vanilloid-1 Receptor (Vr1) TRPV1, TRPV2, TRPV6 TRPV1 1/4885SCN5A 203/4885SCN9A 89/4885

“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.