SCHEMBL1131895

SCHEMBL1131895

OCc1cc(-c2ccc(OCc3ccccc3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
CYP2D6 P10635 2/20 0.47
FABP3 P05413 3/20 0.46
FABP4 P15090 3/20 0.46
PTGS2 P35354 1/20 0.45
MDM2 Q00987 2/20 0.45
GCGR P47871 2/20 0.44
MAOB P27338 1/20 0.42
GSTP1 P09211 1/20 0.42
CMKLR1 Q99788 1/20 0.42
BTK Q06187 2/20 0.42
FDFT1 P37268 1/20 0.41
KCNH2 Q12809 2/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 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
SCHEMBL1131968 0.87 FABP3 (0.54) HRH3CYP2D6FABP3FABP4PTGS2
SCHEMBL1131960 0.84 FABP3 (0.47) HRH3FABP3FABP4PTGS2MDM2
SCHEMBL1132134 0.84 MDM2 (0.63) HRH3CYP2D6FABP3FABP4MDM2
SCHEMBL1131593 0.83 FABP3 (0.47) HRH3CYP2D6FABP3FABP4PTGS2
SCHEMBL12860104 0.82 PTGS2 (0.47) CYP2D6FABP3FABP4PTGS2GCGR
SCHEMBL1132018 0.82 FABP3 (0.46) HRH3CYP2D6FABP3FABP4PTGS2
SCHEMBL1131074 0.82 HRH3 (0.45) HRH3CYP2D6FABP3FABP4PTGS2
SCHEMBL1131572 0.81 HRH3 (0.45) HRH3CYP2D6FABP3FABP4PTGS2
SCHEMBL1131950 0.80 FABP3 (0.46) HRH3FABP3FABP4MDM2CMKLR1
SCHEMBL1131603 0.80 FABP3 (0.46) HRH3CYP2D6FABP3FABP4PTGS2

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 6 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 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 HRH3 1341/4885CYP2D6 413/4885FABP3 3457/4885

“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.