SCHEMBL21363425

SCHEMBL21363425

Cn1cnc2c(C#N)nn(C(C)(C)C)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.43
DPP4 P27487 3/20 0.35
F10 P00742 3/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2B P29275 2/20 0.33
BCAT1 P54687 1/20 0.33
CTSK P43235 2/20 0.31
F2 P00734 1/20 0.31
PROC P04070 1/20 0.31

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
SCHEMBL21363712 0.89 TRPA1 (0.39) TRPA1F10ADORA2BPIK3CDPOLB
SCHEMBL20203483 0.82 TRPA1 (0.46) TRPA1DPP4F10ALDH1A1MAPT
SCHEMBL21363593 0.77 TRPA1 (0.43) TRPA1DPP4F10ADORA2BBCAT1
SCHEMBL21363591 0.71 TRPA1 (0.39) TRPA1F10ALDH1A1MAPTADORA2B
SCHEMBL21363529 0.71 TRPA1 (0.35) TRPA1DPP4F10KDM4EALDH1A1
SCHEMBL22477638 0.71 TRPA1 (0.34) TRPA1KDM4EALDH1A1MAPT
SCHEMBL20187657 0.69 TRPA1 (0.48) TRPA1DPP4F10ADORA2BF2
SCHEMBL20203178 0.68 TRPA1 (0.45) TRPA1DPP4F10KDM4EALDH1A1
SCHEMBL20187573 0.67 DPP4 (0.37) TRPA1DPP4ALDH1A1MAPTMAPK1
SCHEMBL26155933 0.66 GDA (0.41) TRPA1DPP4ALDH1A1MAPTMAPK1

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-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 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
US-20190284189-A1 OXADIAZOLONES AS 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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885DPP4 2199/4885F10 3430/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885DPP4 2973/4885F10 2289/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885DPP4 2199/4885F10 3430/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885DPP4 3318/4885F10 2510/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885DPP4 3318/4885F10 2510/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885DPP4 3318/4885F10 2510/4885

“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.