SCHEMBL21363538

SCHEMBL21363538

CC(C)(C)n1cnc2nnccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.37
EIF4EBP1 Q13541 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL21363616 0.80 IDO1 (0.40) TRPA1LMNA
SCHEMBL21363431 0.74 KDM4C (0.42) TRPA1MAPK13MAPK12MAPK11MAPK14
SCHEMBL21363469 0.73 TRPA1 (0.32) TRPA1ALDH1A1LMNA
SCHEMBL21363499 0.73 ALDH1A1 (0.37) TRPA1ALDH1A1LMNA
SCHEMBL122153 0.71 POLB (0.51)
SCHEMBL21363448 0.70 PI4KA (0.47) ALDH1A1LMNA
SCHEMBL21363365 0.70 TRPA1 (0.38) TRPA1ALDH1A1LMNA
SCHEMBL21363383 0.70 TRPA1 (0.36) TRPA1
SCHEMBL14867109 0.69 ACVR1 (0.35) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL12395332 0.69 ALDH1A1 (0.33) ALDH1A1LMNA

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 TRPA1 1/4885EIF4EBP1 3074/4885ALDH1A1 665/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885EIF4EBP1 3121/4885ALDH1A1 721/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885EIF4EBP1 3121/4885ALDH1A1 721/4885

“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.