SCHEMBL4872989

SCHEMBL4872989

O=C(Nc1ccc(SC(F)(F)F)cc1)N1C2CCC1CN(c1ncccc1Cl)C2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 4/20 0.47
TRPA1 O75762 1/20 0.47
KCNH2 Q12809 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
MALT1 Q9UDY8 3/20 0.46

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
SCHEMBL4874169 0.87 TRPV1 (0.62) TRPV1TRPA1KCNH2TRPM8
SCHEMBL4875128 0.86 MALT1 (0.51) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4866059 0.86 TRPV1 (0.53) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4875342 0.84 MALT1 (0.51) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4870197 0.84 MALT1 (0.51) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4873132 0.83 TRPV1 (0.68) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4867946 0.82 TRPV1 (0.50) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL14423773 0.82 TRPV1 (0.69) TRPV1TRPA1KCNH2TRPM8
SCHEMBL4869812 0.82 TRPV1 (0.55) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4869692 0.81 MEN1 (0.52) SMN1; SMN2TRPV1TRPA1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US 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
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 US 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
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 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 (4 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-20050009841-A1 Novel amides useful for treating pain OPRL1, OPRK1, FAAH2 KCNK3 411/4885KCNK9 514/4885NPC1 2130/4885
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 KCNK3 361/4885KCNK9 407/4885NPC1 1062/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G KCNK3 925/4885KCNK9 454/4885NPC1 1735/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 KCNK3 981/4885KCNK9 533/4885NPC1 1409/4885

“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.