SCHEMBL20094537

SCHEMBL20094537

CCc1cc(C(F)(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)F)nc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
TRPA1 O75762 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL20094535 0.90 TRPA1 (0.45) TRPA1RXRARXRBRXRG
SCHEMBL20094374 0.88 XDH (0.36) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088637 0.88 ADORA2A (0.38) ADORA2ATRPA1
SCHEMBL20094334 0.88 TRPA1 (0.40) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20094318 0.84 TRPA1 (0.33) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088641 0.81 ADORA2A (0.37) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20094364 0.80 ADORA2A (0.39) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20094351 0.80 ADORA2A (0.38) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20094502 0.80 TRPA1 (0.36) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088638 0.79 TRPA1 (0.38) TRPA1

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-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
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 ADORA2A 186/4885TRPA1 593/4885RXRA 637/4885

“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.