SCHEMBL20094497

SCHEMBL20094497

CCc1nc2c(Cl)cc(C(F)(F)F)c(-c3cc(C)c4[nH]ncc4c3)n2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
PDE10A Q9Y233 6/20 0.34
XDH P47989 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CRHR1 P34998 2/20 0.31
ADORA2A P29274 2/20 0.31
METAP2 P50579 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL20094502 0.92 TRPA1 (0.36) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20094324 0.89 TRPA1 (0.47) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20094530 0.88 TRPA1 (0.40) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20088583 0.88 XDH (0.37) TRPA1PDE10AXDHADORA2AADORA3
SCHEMBL20094231 0.86 TRPA1 (0.38) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20094670 0.85 TRPA1 (0.42) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20094374 0.84 XDH (0.36) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20094538 0.84 PDE10A (0.36) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20094379 0.83 TRPA1 (0.47) TRPA1PDE10AXDHRXRARXRB
SCHEMBL20094296 0.82 TRPA1 (0.51) TRPA1XDHRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 EP claimed
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 EP disclosed
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
US-20180111933-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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-20180111933-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN3A, GRM1 TRPA1 593/4885PDE10A 1518/4885XDH 479/4885

“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.