SCHEMBL3887462

SCHEMBL3887462

O=C(O)/C=C/c1nn(C2CCCCC2)c(-c2ccc(O)cc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.45
CNR1 P21554 2/20 0.44
ESR1 P03372 3/20 0.41
HPGD P15428 2/20 0.40
KCNJ6 P48051 6/20 0.39
KCNJ3 P48549 6/20 0.39
KCNJ5 P48544 4/20 0.39
S1PR1 P21453 2/20 0.37
CNR2 P34972 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3887467 1.00 ALOX5 (0.45) ALOX5CNR1ESR1HPGDKCNJ6
SCHEMBL1131500 0.89 CNR1 (0.43) CNR1ESR1HPGDKCNJ6KCNJ3
SCHEMBL1131498 0.89 CNR1 (0.43) CNR1ESR1HPGDKCNJ6KCNJ3
SCHEMBL1131971 0.86 CMKLR1 (0.41) CNR1HPGDKCNJ6KCNJ3KCNJ5
SCHEMBL1131969 0.86 CMKLR1 (0.41) CNR1HPGDKCNJ6KCNJ3KCNJ5
SCHEMBL1131504 0.83 CNR1 (0.43) CNR1ESR1HPGDKCNJ6KCNJ3
SCHEMBL1131499 0.79 CNR1 (0.48) ALOX5CNR1ESR1HPGDKCNJ6
SCHEMBL1132022 0.77 CMKLR1 (0.41) CNR1HPGDKCNJ6KCNJ3KCNJ5
SCHEMBL1132052 0.76 PTGS1 (0.41) SMN1; SMN2
SCHEMBL1131332 0.76 PTGS1 (0.41) SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5 775/4885CNR1 625/4885ESR1 4488/4885

“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.