SCHEMBL21363533

SCHEMBL21363533

CC(C)n1cnc2nc(NC3COC3)n(C)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.47
KAT2B Q92831 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
SYK P43405 4/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL21393417 0.86 TRPA1 (0.47) TRPA1SYK
SCHEMBL21363489 0.82 TRPA1 (0.44) TRPA1KAT2BSYKMKNK1MKNK2
SCHEMBL21363503 0.77 TRPA1 (0.42) TRPA1ADORA2AADORA1SYK
SCHEMBL21393345 0.75 TRPA1 (0.39) TRPA1KAT2BADORA2ASYKMKNK1
SCHEMBL21363702 0.73 ADORA2A (0.45) TRPA1ADORA2AADORA1
SCHEMBL22477725 0.72 ADORA2A (0.37) TRPA1ADORA2AADORA1
SCHEMBL22477724 0.71 TRPA1 (0.46) TRPA1
SCHEMBL21363535 0.71 TRPA1 (0.46) TRPA1SYKMKNK1MKNK2
SCHEMBL21363480 0.70 TRPA1 (0.38) TRPA1ADORA2AADORA1
SCHEMBL25100649 0.66 ADORA2A (0.47) TRPA1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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 (2 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885KAT2B 2797/4885CCNT1 1873/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885KAT2B 2797/4885CCNT1 1873/4885

“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.