SCHEMBL4869706

SCHEMBL4869706

CC(C)(C)c1ccc(NC(=O)[C@@H]2CCN(c3ncccc3Cl)C[C@H]2O)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.75
TRPA1 O75762 2/20 0.62
KCNH2 Q12809 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
MALT1 Q9UDY8 11/20 0.56

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
SCHEMBL4866190 1.00 TRPV1 (0.75) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4869691 1.00 TRPV1 (0.75) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4866182 1.00 TRPV1 (0.75) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4866177 1.00 TRPV1 (0.75) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL4419550 0.79 TRPV1 (0.70) TRPV1TRPA1KCNH2TRPM8
SCHEMBL4869311 0.78 MALT1 (0.55) MALT1
SCHEMBL6432475 0.78 TRPV1 (0.71) TRPV1TRPA1KCNH2TRPM8
SCHEMBL4270033 0.78 TRPV1 (0.71) TRPV1TRPA1KCNH2TRPM8
SCHEMBL4873132 0.77 TRPV1 (0.68) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL1269620 0.77 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8

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 TRPV1 6/4885TRPA1 10/4885KCNH2 318/4885
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 TRPV1 1/4885TRPA1 4/4885KCNH2 91/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G TRPV1 8/4885TRPA1 12/4885KCNH2 105/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 TRPV1 10/4885TRPA1 47/4885KCNH2 135/4885

“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.