SCHEMBL20088872

SCHEMBL20088872

CCc1nc2c(-c3cc(C)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.51
ADORA2A P29274 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
HPGD P15428 1/20 0.33
CD38 P28907 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
XDH P47989 1/20 0.31
CALCA P06881 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL20088871 0.90 TRPA1 (0.40) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20088966 0.89 TRPA1 (0.54) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20088868 0.88 TRPA1 (0.53) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20085874 0.87 TRPA1 (0.40) TRPA1ADORA2AHPGDADORA3XDH
SCHEMBL20088902 0.85 TRPA1 (0.48) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20088982 0.85 TRPA1 (0.50) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20088875 0.85 TRPA1 (0.50) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20085868 0.83 TRPA1 (0.45) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20089098 0.81 TRPA1 (0.50) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL20085871 0.79 ADORA2A (0.45) TRPA1ADORA2AHPGDADORA3XDH

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-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP claimed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC 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-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B TRPA1 1234/4885ADORA2A 135/4885RXRA 365/4885

“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.