SCHEMBL21363535

SCHEMBL21363535

Cn1c(NC2CCOCC2)nc2ncn(C(C)(C)C)c(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
SYK P43405 1/20 0.36
CD38 P28907 2/20 0.36
MAPK14 Q16539 8/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
LCK P06239 1/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK1 P28482 3/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GAK O14976 1/20 0.34
RPS6KA4 O75676 1/20 0.34

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
SCHEMBL21363489 0.88 TRPA1 (0.44) TRPA1SYKMKNK1MKNK2
SCHEMBL21363377 0.78 TRPA1 (0.36) TRPA1
SCHEMBL26155902 0.75 MAPK8 (0.40) TRPA1PDE4BPDE7AMAPK14MAPK8
SCHEMBL21363508 0.74 TRPA1 (0.39) TRPA1PDE7AMAPK1
SCHEMBL21393417 0.73 TRPA1 (0.47) TRPA1SYK
SCHEMBL22209600 0.73 TRPA1 (0.40) TRPA1PIK3CA
SCHEMBL21363370 0.71 TRPA1 (0.42) TRPA1MAPK1
SCHEMBL21363533 0.71 TRPA1 (0.47) TRPA1SYKMKNK1MKNK2
SCHEMBL21363381 0.69 TRPA1 (0.34) TRPA1
SCHEMBL21363595 0.69 ALDH1A1 (0.31)

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 6 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-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
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 (5 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 1/4885PDE4B 1459/4885PDE7A 862/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885PDE4B 1229/4885PDE7A 1142/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885PDE4B 1675/4885PDE7A 1417/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 TRPA1 1/4885PDE4B 1229/4885PDE7A 1142/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885PDE4B 1675/4885PDE7A 1417/4885

“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.