SCHEMBL4874283

SCHEMBL4874283

O=C(O)N1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
KCNH2 Q12809 7/20 0.48
OPRK1 P41145 5/20 0.48
OPRM1 P35372 5/20 0.48
OPRD1 P41143 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL4324707 0.91 KCNH2 (0.44) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL23003594 0.86 LTA4H (0.49) KCNH2OPRK1OPRM1LTA4HMEN1
SCHEMBL14016385 0.86 L3MBTL1 (0.48) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL928276 0.83 ARG1 (0.45) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL5832412 0.82 CYP2D6 (0.47) KCNH2OPRK1OPRM1OPRD1L3MBTL1
SCHEMBL26694901 0.80 SIGMAR1 (0.44) CHRM2CHRM4CHRM5
SCHEMBL4832341 0.80 BRD4 (0.48) CHRM2CHRM4CHRM5LMNAALDH1A1
SCHEMBL19838851 0.80 KMT2A (0.57) KCNH2OPRK1OPRD1L3MBTL1KMT2A
SCHEMBL19838852 0.80 KMT2A (0.57) KCNH2OPRK1OPRD1L3MBTL1KMT2A
SCHEMBL4692043 0.80 ALDH1A1 (0.45) KCNH2L3MBTL1MEN1KMT2AALDH1A1

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-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 WO disclosed
US-20220281893-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-09-08 US disclosed
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 (6 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 CHRM2 393/4885CHRM4 609/4885CHRM5 714/4885
US-20220281893-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF OXA1L, CACNA1I, GRIK5 CHRM2 4089/4885CHRM4 3186/4885CHRM5 3725/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L CHRM2 4118/4885CHRM4 3129/4885CHRM5 3728/4885
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 CHRM2 334/4885CHRM4 428/4885CHRM5 309/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G CHRM2 486/4885CHRM4 1180/4885CHRM5 573/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 CHRM2 136/4885CHRM4 382/4885CHRM5 246/4885

“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.