SCHEMBL21363491

SCHEMBL21363491

CN(C)C(=O)CNc1nc2ncn(C(C)(C)C)c(=O)c2n1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
PDE5A O76074 4/20 0.33
PDE6A P16499 2/20 0.33
CYP2D6 P10635 1/20 0.32
MAT2A P31153 1/20 0.32
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21363508 0.83 TRPA1 (0.39) TRPA1CYP2D6CYP2C19LMNAHTT
SCHEMBL21363642 0.82 CYP2D6 (0.51) CYP2D6CYP2C19LMNAHTTRAB9A
SCHEMBL21363370 0.82 TRPA1 (0.42) TRPA1CYP2C19LMNAHTTRAB9A
SCHEMBL22209600 0.79 TRPA1 (0.40) TRPA1GAARXFP1LMNARAB9A
SCHEMBL21363377 0.79 TRPA1 (0.36) TRPA1LMNASMN1; SMN2
SCHEMBL21363536 0.78 TRPA1 (0.44) TRPA1GAACYP2C19LMNAHTT
SCHEMBL26155903 0.75 TRPA1 (0.38) TRPA1PDE5APDE6ACYP2D6MAT2A
SCHEMBL21363368 0.74 TRPA1 (0.46) TRPA1GAALMNAHTTRAB9A
SCHEMBL21363440 0.70 ALDH1A1 (0.37) TRPA1PDE5ALMNA
SCHEMBL21363595 0.70 ALDH1A1 (0.31) LMNA

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 7 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-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 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 (6 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 1/4885PDE5A 789/4885PDE6A 911/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885PDE5A 941/4885PDE6A 888/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885PDE5A 1096/4885PDE6A 907/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 TRPA1 1/4885PDE5A 941/4885PDE6A 888/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885PDE5A 1096/4885PDE6A 907/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885PDE5A 1096/4885PDE6A 907/4885

“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.