SCHEMBL16629543

SCHEMBL16629543

CCc1cccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CNR2 P34972 4/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE4B Q07343 2/20 0.47
DHFR P00374 1/20 0.47
TLR8 Q9NR97 1/20 0.45
KMO O15229 1/20 0.44
CYP2C19 P33261 1/20 0.44
IDO1 P14902 1/20 0.44
MAP4K4 O95819 2/20 0.43
NOTUM Q6P988 1/20 0.43
PLK1 P53350 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL4592022 0.84 CNR2 (0.46) CTSSCTSKCNR2KMOIDO1
SCHEMBL4591178 0.83 CNR2 (0.48) CTSSCTSKCNR2KMOIDO1
SCHEMBL2759538 0.82 CNR2 (0.43) CNR2CYP3A4KDM4EALDH1A1CYP1A2
SCHEMBL18014812 0.82 CNR2 (0.46) CTSSCTSKCNR2KMOIDO1
SCHEMBL29470230 0.81 IDO1 (0.55) CNR2KDM4EALDH1A1TSHRKMO
SCHEMBL18015842 0.81 TRPV3 (0.55) CNR2KMO
SCHEMBL28396758 0.81 CTSS (0.49) CTSSCTSKCNR2CYP3A4KDM4E
SCHEMBL28888400 0.81 CTSS (0.49) CTSSCTSKKDM4ETSHRTLR8
SCHEMBL13283433 0.80 RAB9A (0.60) CTSKALDH1A1TSHRHSD17B10
SCHEMBL20878875 0.79 MAP4K4 (0.47) CNR2KDM4ETLR8KMOIDO1

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 2 patents. 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
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO 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 113/4885CTSK 257/4885CNR2 464/4885

“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.