SCHEMBL4869692

SCHEMBL4869692

O=C(Nc1cccc(C(F)(F)F)c1)N1C2CCC1CN(c1ncccc1Cl)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
USP2 O75604 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
ELOVL6 Q9H5J4 1/20 0.52
MALT1 Q9UDY8 5/20 0.50
TRPV1 Q8NER1 4/20 0.49
TRPA1 O75762 1/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LDHA P00338 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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 0.89 TRPV1 (0.62) ELOVL6TRPV1TRPA1
SCHEMBL4869812 0.84 TRPV1 (0.55) MALT1TRPV1TRPA1
SCHEMBL4875128 0.82 MALT1 (0.51) MALT1TRPV1TRPA1ALDH1A1
SCHEMBL4866059 0.81 TRPV1 (0.53) ELOVL6MALT1TRPV1TRPA1
SCHEMBL4873132 0.81 TRPV1 (0.68) MALT1TRPV1TRPA1
SCHEMBL4872989 0.81 KCNK3 (0.55) MALT1TRPV1TRPA1SMN1; SMN2
SCHEMBL4875342 0.80 MALT1 (0.51) MALT1TRPV1TRPA1
SCHEMBL4870197 0.80 MALT1 (0.51) MALT1TRPV1TRPA1
SCHEMBL4867946 0.78 TRPV1 (0.50) ELOVL6MALT1TRPV1TRPA1
SCHEMBL4258865 0.77 TRPV1 (0.80) TRPV1TRPA1

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 MEN1 4645/4885KMT2A 2878/4885KDM4E 3213/4885
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 MEN1 4321/4885KMT2A 2331/4885KDM4E 2816/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G MEN1 3357/4885KMT2A 1665/4885KDM4E 1374/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 MEN1 4067/4885KMT2A 2575/4885KDM4E 1452/4885

“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.