SCHEMBL22210503

SCHEMBL22210503

CC(C)n1cnc2nnn(C)c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 10/20 0.39
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
CREBBP Q92793 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
SCHEMBL23718330 0.79 TRPA1 (0.41) ADORA2AADORA1TRPA1PDE4APDE4B
SCHEMBL21363473 0.73 TRPA1 (0.41) TRPA1
SCHEMBL20203371 0.73 TRPA1 (0.39) TRPA1
SCHEMBL22400015 0.73 HPGD (0.39) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL21363702 0.72 ADORA2A (0.45) ADORA2AADORA1TRPA1PDE4APDE4B
SCHEMBL22477725 0.71 ADORA2A (0.37) ADORA2AADORA1TRPA1PDE4APDE4B
SCHEMBL25165828 0.70 ADORA2A (0.50) ADORA2AADORA1TRPA1PDE4APDE4B
SCHEMBL21363488 0.70 ALDH1A1 (0.41) ADORA2AADORA1TRPA1PDE4APDE4B
SCHEMBL22477661 0.70 ALDH1A1 (0.38) TRPA1
SCHEMBL25165827 0.69 TRPA1 (0.36) 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
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 US disclosed
US-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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 ADORA2A 370/4885ADORA1 234/4885TRPA1 1/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ADORA2A 120/4885ADORA1 31/4885TRPA1 1/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ADORA2A 120/4885ADORA1 31/4885TRPA1 1/4885

“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.