SCHEMBL21363623

SCHEMBL21363623

Cc1cnnc2ncn(C(C)C)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GSK3A P49840 4/20 0.34
GSK3B P49841 4/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL21363365 0.75 TRPA1 (0.38) TRPA1
SCHEMBL22477750 0.73 GSK3A (0.39) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL22477764 0.73 SMN1; SMN2 (0.39) TRPA1ADORA2AADORA1GSK3AGSK3B
SCHEMBL21363619 0.71 TRPA1 (0.40) TRPA1ADORA2AADORA1GSK3AGSK3B
SCHEMBL26248647 0.69 ADORA2A (0.55) ADORA2AADORA1GSK3AGSK3BCDK1
SCHEMBL22477747 0.68 TRPA1 (0.42) TRPA1ADORA2AADORA1GSK3AGSK3B
SCHEMBL20203292 0.66 CNR1 (0.38) TRPA1ADORA2AADORA1GSK3AGSK3B
SCHEMBL24614004 0.65 SMN1; SMN2 (0.39) ADORA2AADORA1GSK3AGSK3BCDK1
SCHEMBL19723177 0.65 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL26248671 0.65 ADORA2A (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
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 (3 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885ADORA2A 370/4885ADORA1 234/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885ADORA2A 209/4885ADORA1 42/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885ADORA2A 209/4885ADORA1 42/4885

“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.