SCHEMBL20088620

SCHEMBL20088620

Cc1ccc2cc(C(C)C)nn2c1-c1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.44
NOS1 P29475 1/20 0.33
TRPA1 O75762 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MET P08581 2/20 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
SCHEMBL20088635 0.90 TRPA1 (0.41) ADORA2ATRPA1MAPT
SCHEMBL20094546 0.85 ADORA2A (0.40) ADORA2ANOS1TRPA1MET
SCHEMBL20088613 0.83 ADORA2A (0.40) ADORA2ANOS1TRPA1MAPT
SCHEMBL20088624 0.82 ADORA2A (0.40) ADORA2ANOS1TRPA1MAPT
SCHEMBL20088588 0.81 ADORA2A (0.43) ADORA2ANOS1TRPA1MAPT
SCHEMBL20088574 0.78 ADORA2A (0.46) ADORA2ANOS1TRPA1MAPT
SCHEMBL20094309 0.78 TRPA1 (0.52) ADORA2ATRPA1
SCHEMBL20088567 0.76 ADORA2A (0.42) ADORA2ANOS1TRPA1MAPT
SCHEMBL20088596 0.75 ADORA2A (0.41) ADORA2ANOS1TRPA1MAPT
SCHEMBL20088579 0.75 ADORA2A (0.41) ADORA2ANOS1TRPA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 186/4885NOS1 715/4885TRPA1 593/4885

“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.