SCHEMBL21363373

SCHEMBL21363373

Cn1cnc2nc(N)n(C(C)(C)C)c(=O)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
PIK3CD O00329 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
ADORA1 P30542 1/20 0.36
NTSR1 P30989 1/20 0.36
MC3R P41968 1/20 0.36
NOTUM Q6P988 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
GDA Q9Y2T3 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
CYP3A4 P08684 2/20 0.34
BLM P54132 2/20 0.34
PMP22 Q01453 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL21363588 0.88 TRPA1 (0.35) TRPA1ADORA2AADORA2BPIK3CDPOLB
SCHEMBL21363449 0.84 ADORA2A (0.38) TRPA1ADORA2AADORA2BPIK3CDPOLB
SCHEMBL21363380 0.81
SCHEMBL21363441 0.81 ADORA2A (0.36) TRPA1ADORA2AADORA2BPIK3CDPOLB
SCHEMBL22477704 0.81 TRPA1 (0.38) TRPA1ADORA2AADORA2BPIK3CDPOLB
SCHEMBL21961 0.80 ADORA2B (0.47) TRPA1ADORA2AADORA2BPIK3CDPOLB
Hydrochloric Acid SCHEMBL17186276 0.79 ADORA2A (0.46) TRPA1ADORA2AADORA2BPIK3CDPOLB
SCHEMBL9466617 0.78 ADORA2A (0.38) TRPA1ADORA2AADORA2BPIK3CDPOLB
SCHEMBL26156362 0.76 ADORA2A (0.37) TRPA1ADORA2AADORA2BPIK3CDPOLB
SCHEMBL22477700 0.74 TRPA1 (0.34) TRPA1TSHR

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-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-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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885ADORA2A 120/4885ADORA2B 55/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885ADORA2A 209/4885ADORA2B 129/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 TRPA1 1/4885ADORA2A 120/4885ADORA2B 55/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885ADORA2A 209/4885ADORA2B 129/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885ADORA2A 209/4885ADORA2B 129/4885

“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.