SCHEMBL20088959

SCHEMBL20088959

CC(C)c1cn2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.39
TRPA1 O75762 5/20 0.38
METAP2 P50579 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL20088901 0.89 TRPA1 (0.50) ADORA2ATRPA1METAP2RXRARXRB
SCHEMBL20085908 0.86 ADORA2A (0.45) ADORA2ATRPA1METAP2
SCHEMBL20088957 0.86 TRPA1 (0.38) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088890 0.82 ADORA2A (0.37) ADORA2ATRPA1METAP2
SCHEMBL20088985 0.81 TRPA1 (0.50) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20088904 0.80 ADORA2A (0.41) ADORA2ATRPA1METAP2RXRARXRB
SCHEMBL20085902 0.78 ADORA2A (0.40) ADORA2AMETAP2
SCHEMBL20088903 0.77 ADORA2A (0.44) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20085907 0.77 ADORA2A (0.42) ADORA2ATRPA1RXRARXRBRXRG
SCHEMBL20089163 0.76 TRPA1 (0.54) ADORA2ATRPA1METAP2RXRARXRB

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 ADORA2A 135/4885TRPA1 1234/4885METAP2 4097/4885

“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.