SCHEMBL4874601

SCHEMBL4874601

NC(=O)c1cc(F)c(N2C3CCCC2CC3)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
OPRM1 P35372 5/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 4/20 0.37
KCNH2 Q12809 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 2/20 0.35
PARP10 Q53GL7 3/20 0.35
HRH3 Q9Y5N1 3/20 0.34
PARP15 Q460N3 2/20 0.34
OPRL1 P41146 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL4867996 0.80 OPRM1 (0.42) TRPV1OPRM1OPRD1OPRK1KCNH2
SCHEMBL3693704 0.78 TRPV1 (0.34) TRPV1
SCHEMBL5024766 0.73 TRPV1 (0.39) TRPV1
SCHEMBL4874626 0.71 PARP10 (0.49) OPRM1OPRD1OPRK1KCNH2PARP10
SCHEMBL20333011 0.71 ALDH1A1 (0.38) TRPV1
SCHEMBL5016018 0.70 HTR7 (0.38) TRPV1KCNH2HRH3
SCHEMBL23582982 0.69 CYP2C19 (0.46)
SCHEMBL1898762 0.68 ABCB1 (0.31) TRPV1
SCHEMBL1799276 0.66 CES2 (0.64) HDAC6PARP1PARP10
SCHEMBL23582916 0.66 FFAR4 (0.54)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 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 (3 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-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 TRPV1 1/4885OPRM1 34/4885OPRD1 14/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G TRPV1 8/4885OPRM1 32/4885OPRD1 10/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 TRPV1 10/4885OPRM1 17/4885OPRD1 3/4885

“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.