SCHEMBL16629552

SCHEMBL16629552

CC(C)c1cccc(-c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.48
CNR2 P34972 8/20 0.47
CNR1 P21554 4/20 0.46
TRPV3 Q8NET8 3/20 0.46
KMO O15229 2/20 0.45
CTSA P10619 1/20 0.43
ABL1 P00519 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CASP1 P29466 1/20 0.39
IRAK4 Q9NWZ3 2/20 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
SCHEMBL2609365 0.88 KMO (0.45) HSD17B14CNR2CNR1TRPV3KMO
SCHEMBL18014721 0.86 CNR2 (0.51) HSD17B14CNR2CNR1TRPV3KMO
SCHEMBL2609333 0.86 KMO (0.45) TRPV3KMOABL1
SCHEMBL2609345 0.86 TRPV3 (0.43) HSD17B14TRPV3KMOCTSAIRAK4
SCHEMBL2609346 0.83 TRPV3 (0.45) HSD17B14TRPV3CTSAIRAK4
SCHEMBL2609328 0.81 CNR2 (0.44) CNR2CNR1TRPV3KMO
SCHEMBL2609330 0.80 HSD11B1 (0.40) CNR2CNR1TRPV3
SCHEMBL16533199 0.80 TRPV3 (0.46) HSD17B14CNR2CNR1TRPV3KMO
SCHEMBL2609353 0.80 KMO (0.46) HSD17B14KMOCTSAIRAK4
SCHEMBL2609335 0.78 NOTUM (0.48) TRPV3IRAK4

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
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
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 HSD17B14 1232/4885CNR2 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.