SCHEMBL4600718

SCHEMBL4600718

CCOC(=O)CCc1cccn1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
LMNA P02545 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.44
TBXAS1 P24557 1/20 0.43
TNF P01375 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 2/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7676895 0.83 RAB9A (0.48) LMNATRPM8MAPTNPC1ALDH1A1
SCHEMBL11466037 0.78 ALDH1A1 (0.47) MAPTNPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7477617 0.78 ALDH1A1 (0.47) MAPTNPC1ALDH1A1GAASMN1; SMN2
SCHEMBL27814206 0.77 KDM4E (0.47) TRPM8NPC1ALDH1A1GAASMN1; SMN2
SCHEMBL6936992 0.77 FFAR4 (0.46) CYP4F2CYP4A11LMNATBXAS1MAPT
SCHEMBL6181432 0.73 TBXAS1 (0.48) CYP4F2CYP4A11LMNATBXAS1TNF
SCHEMBL6133245 0.73 LMNA (0.49) CYP4F2CYP4A11LMNATBXAS1MAPT
SCHEMBL69660 0.72 CYP4F2 (0.86) CYP4F2CYP4A11LMNAMAPTALDH1A1
SCHEMBL6990088 0.72 NPC1 (0.57) MAPTHRH3NPC1ALDH1A1KDM4E
SCHEMBL6939109 0.72 PTPN1 (0.52) CYP4F2CYP4A11LMNATNFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2020-08-13 US disclosed
EP-1914236-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators Ortho-McNeil Pharmaceutical, Inc. (US) 2008-04-23 EP disclosed
US-7358261-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-04-15 US disclosed
US-6958349-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators CARSON JOHN R (US) 2005-07-21 US disclosed
EP-1495017-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS Ortho-McNeil Pharmaceutical, Inc. (US) 2005-01-12 EP disclosed
US-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-09-30 US disclosed
WO-2003087090-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-10-23 WO 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX CYP4F2 546/4885CYP4A11 44/4885LMNA 1372/4885
US-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 CYP4F2 1646/4885CYP4A11 567/4885LMNA 2802/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 CYP4F2 1646/4885CYP4A11 567/4885LMNA 2802/4885
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME C1R, RDX, F12 CYP4F2 548/4885CYP4A11 36/4885LMNA 2127/4885

“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.