SCHEMBL15968271

SCHEMBL15968271

COC(=O)c1cnc(OCC2CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.43
LRRK2 Q5S007 3/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
SCN9A Q15858 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CNR2 P34972 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL15968176 0.85 CNR1 (0.43) CNR1LRRK2FFAR4CNR2
SCHEMBL28264256 0.84 GABRA5 (0.47) CNR1CCNB2CDK1CCNB1CCNA2
SCHEMBL15969593 0.84 CNR1 (0.45) CNR1SCN9ACNR2
SCHEMBL14908976 0.81 MAPK1 (0.42)
SCHEMBL1063745 0.79 MAPK1 (0.46)
SCHEMBL29918163 0.79 MAPK1 (0.46)
SCHEMBL10076888 0.79 ABL1 (0.43) CNR1
SCHEMBL14928364 0.79 MAPK1 (0.41)
SCHEMBL15670829 0.78 POLB (0.41) SCN9A
SCHEMBL2713733 0.78 L3MBTL1 (0.41) CNR1SCN9ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 CNR1 445/4885LRRK2 3218/4885CCNB2 167/4885

“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.