SCHEMBL1131987

SCHEMBL1131987

CCOC(=O)c1nn(C2CCCCC2)c(-c2ccc(OCc3ccccc3)cc2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
CYP19A1 P11511 4/20 0.43
CNR1 P21554 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
PPARG P37231 1/20 0.41
CMKLR1 Q99788 3/20 0.41
PRMT5 O14744 1/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 2/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1131696 0.89 KDM4E (0.43) CNR1CMKLR1SMN1; SMN2
SCHEMBL1131589 0.85 CNR1 (0.40) CNR1CMKLR1SMN1; SMN2
SCHEMBL1131947 0.83 CNR1 (0.43) CNR1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL1131853 0.80 BTK (0.42) CHRNB2CHRNA5CHRNA7CHRNA4CMKLR1
SCHEMBL1132366 0.80 HRH3 (0.42) CMKLR1LMNA
SCHEMBL1131946 0.80 FAAH (0.54) L3MBTL1PPARGCMKLR1LMNA
SCHEMBL1132086 0.79 HRH3 (0.41) CMKLR1
SCHEMBL1132052 0.79 PTGS1 (0.41) CMKLR1SMN1; SMN2
SCHEMBL1131332 0.79 PTGS1 (0.41) CMKLR1SMN1; SMN2
SCHEMBL1131591 0.78 CMKLR1 (0.39) CNR1CMKLR1SMN1; SMN2

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 13 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-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 DGAT1 1146/4885CYP19A1 1861/4885CNR1 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.