SCHEMBL21363488

SCHEMBL21363488

CC(C)n1cnc2cnn(C)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TRPA1 O75762 3/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
HCAR3 P49019 1/20 0.35
GSK3A P49840 5/20 0.34
GSK3B P49841 5/20 0.34
KAT2B Q92831 1/20 0.34
USP5 P45974 1/20 0.34
CDK1 P06493 3/20 0.34
CCNB1 P14635 3/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TSHR P16473 1/20 0.32
USP7 Q93009 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 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
SCHEMBL12862606 0.76 TRPA1 (0.44) ALDH1A1TRPA1POLBTSHRLMNA
SCHEMBL12877711 0.73 TRPA1 (0.46) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL21363361 0.73 ALDH1A1 (0.41) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL22477763 0.72 GSK3A (0.39) TRPA1HCAR3GSK3AGSK3BUSP5
SCHEMBL22477705 0.71 ALDH1A1 (0.39) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL26248647 0.71 ADORA2A (0.55) ALDH1A1HCAR3GSK3AGSK3BUSP5
SCHEMBL26248671 0.70 ADORA2A (0.46) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL21367817 0.70 ADORA2A (0.38) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL22210503 0.70 ADORA2A (0.39) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL22477727 0.69 GSK3A (0.33) TRPA1POLBHCAR3GSK3AGSK3B

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-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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885TRPA1 1/4885CYP1A2 781/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885TRPA1 1/4885CYP1A2 753/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885TRPA1 1/4885CYP1A2 753/4885

“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.