SCHEMBL1131475

SCHEMBL1131475

CCOC(=O)c1cc(C2CCCCC2)n(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.52
MGLL Q99685 3/20 0.48
MDM2 Q00987 2/20 0.47
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL1132075 0.88 MDM2 (0.60) FAAHMDM2BCL2MCL1KMT2A
SCHEMBL12860216 0.86 FAAH (0.49) FAAHMGLLTP53KMT2AGAA
SCHEMBL1131660 0.84 MDM2 (0.45) MDM2BCL2MCL1KMT2AL3MBTL1
SCHEMBL1132048 0.84 MDM2 (0.45) MDM2BCL2MCL1KMT2AL3MBTL1
SCHEMBL1131836 0.84 MDM2 (0.46) MDM2BCL2MCL1KMT2AL3MBTL1
SCHEMBL1132051 0.83 PTPN1 (0.47) MDM2L3MBTL1ALDH1A1POLB
SCHEMBL1131659 0.83 PTPN1 (0.47) MDM2L3MBTL1ALDH1A1POLB
SCHEMBL31587413 0.82 KMT2A (0.60) FAAHTP53KMT2AGAALMNA
SCHEMBL1132002 0.79 KDM4E (0.43) MDM2BCL2MCL1KMT2ALMNA
SCHEMBL1131756 0.79 KDM4E (0.43) MDM2BCL2MCL1KMT2ALMNA

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 FAAH 1319/4885MGLL 1779/4885MDM2 4023/4885

“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.