SCHEMBL18014759

SCHEMBL18014759

C[C@@H](c1cccc(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.50
TRPV3 Q8NET8 1/20 0.46
KDM1A O60341 2/20 0.46
XDH P47989 1/20 0.46
KMO O15229 2/20 0.45
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.43
SCN9A Q15858 1/20 0.42
MAOB P27338 1/20 0.42
CTSK P43235 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2609334 0.87 CTSS (0.56) CTSSCNR2CNR1TRPV3KDM1A
SCHEMBL18014756 0.85 SCN9A (0.52) TRPV3SCN9A
SCHEMBL2302420 0.84 CTSS (0.54) CTSSCNR2CNR1TRPV3KDM1A
SCHEMBL2305757 0.80 KMO (0.54) CTSSCNR2CNR1TRPV3KDM1A
SCHEMBL18014723 0.79 CNR2 (0.47) CNR2CNR1TRPV3KMOIDO1
SCHEMBL18014764 0.79 IRAK4 (0.33) CTSSCNR2CNR1TRPV3SCN9A
SCHEMBL18014761 0.77 TRPV3 (0.40) CNR2CNR1TRPV3
SCHEMBL18014760 0.76 HSD11B1 (0.45) CNR2CNR1TRPV3KMO
SCHEMBL18014757 0.76 TRPV3 (0.44) CNR2CNR1TRPV3ATM
SCHEMBL9971080 0.76 CTSS (0.57) CTSSCNR2CNR1KDM1AXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CTSS 113/4885CNR2 464/4885CNR1 425/4885

“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.