SCHEMBL4874626

SCHEMBL4874626

NC(=O)c1ccc(N2C3CCCC2CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.49
HRH3 Q9Y5N1 4/20 0.48
PARP15 Q460N3 5/20 0.45
PARP2 Q9UGN5 2/20 0.45
GPR119 Q8TDV5 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP16 Q8N5Y8 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38

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
SCHEMBL22465953 0.75 MAPT (0.42) ALDH1A1KMT2A
SCHEMBL3761149 0.75 MAPT (0.42) ALDH1A1KMT2A
SCHEMBL4131556 0.75 HRH3 (0.60) HRH3GPR119CHRNA7CHRNA10CHRNA9
SCHEMBL4867996 0.74 OPRM1 (0.42) PARP10ALDH1A1OPRM1OPRK1KCNH2
SCHEMBL4048623 0.72 HRH3 (0.62) HRH3GPR119CHRNA7CHRNA10CHRNA9
SCHEMBL30361159 0.72 HRH3 (0.65) HRH3CHRNA7CHRNA10CHRNA9KMT2A
SCHEMBL6426405 0.71 CYP2C9 (0.40) PARP10HRH3PARP15PARP2GPR119
SCHEMBL4874601 0.71 TRPV1 (0.38) PARP10HRH3PARP15PARP2OPRM1
Terephthalamide SCHEMBL12613686 0.71 PARP1 (0.60) PARP10PARP15PARP2ALDH1A1KMT2A
Terephthalamide SCHEMBL197479 0.71 PARP1 (0.60) PARP10PARP15PARP2ALDH1A1KMT2A

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 7 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-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 PARP10 1696/4885HRH3 229/4885PARP15 1686/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G PARP10 1770/4885HRH3 139/4885PARP15 2267/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 PARP10 2631/4885HRH3 160/4885PARP15 3713/4885

“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.