SCHEMBL1131767

SCHEMBL1131767

CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3cc(/C=C(\C)C(=O)O)nn3C3CCCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.39
CMKLR1 Q99788 2/20 0.38
CNR1 P21554 2/20 0.37
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FABP3 P05413 3/20 0.35
FABP4 P15090 3/20 0.35
SCN9A Q15858 2/20 0.35
VCP P55072 2/20 0.35
KCNA3 P22001 1/20 0.34
PIK3CD O00329 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RET P07949 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4049827 1.00 GCGR (0.39) GCGRCMKLR1CNR1FFAR1FFAR4
SCHEMBL1132056 0.92 FAAH (0.37) GCGRCMKLR1CNR1FFAR1FFAR4
SCHEMBL1131843 0.89 CMKLR1 (0.40) CMKLR1CNR1FFAR1FFAR4FABP3
SCHEMBL1131841 0.89 CMKLR1 (0.40) CMKLR1CNR1FFAR1FFAR4FABP3
SCHEMBL1131447 0.89 CMKLR1 (0.37) GCGRCMKLR1FFAR1FFAR4FABP3
SCHEMBL1131445 0.89 CMKLR1 (0.37) GCGRCMKLR1FFAR1FFAR4FABP3
SCHEMBL1131581 0.85 CNR1 (0.39) CNR1FFAR1FFAR4SCN9AVCP
SCHEMBL12860235 0.85 CNR1 (0.39) GCGRCNR1FFAR1FFAR4SCN9A
SCHEMBL12860096 0.81 GCGR (0.36) GCGRFFAR4FABP3FABP4VCP
SCHEMBL1131983 0.81 FAAH (0.36) GCGRCMKLR1FFAR1FFAR4FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP claimed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP claimed
JP-2007505114-A 2007-03-08 JP claimed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US claimed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP claimed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO claimed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 US claimed
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP disclosed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 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 (1 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-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus HCCS, NSUN2, HAVCR2 GCGR 3353/4885CMKLR1 4064/4885CNR1 625/4885

“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.