SCHEMBL21363539

SCHEMBL21363539

Cn1cnc2nnn(C(C)(C)C)c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.41
ADORA2A P29274 5/20 0.41
GDA Q9Y2T3 2/20 0.41
PIK3CD O00329 1/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
ADORA1 P30542 1/20 0.41
NTSR1 P30989 1/20 0.41
MC3R P41968 1/20 0.41
NOTUM Q6P988 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
CYP3A4 P08684 3/20 0.37
PMP22 Q01453 3/20 0.37

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
SCHEMBL23718330 0.75 TRPA1 (0.41) ADORA2BADORA2AGDAPIK3CDPOLB
SCHEMBL21363439 0.74 ADORA2A (0.41) ADORA2BADORA2AGDAPIK3CDPOLB
SCHEMBL21363473 0.73 TRPA1 (0.41) ALDH1A1LMNATRPA1
SCHEMBL20203174 0.72 ADORA2A (0.48) ADORA2BADORA2AGDAPIK3CDPOLB
SCHEMBL21363532 0.70 ADORA2A (0.41) ADORA2BADORA2AGDAPIK3CDPOLB
SCHEMBL20203371 0.70 TRPA1 (0.39) TRPA1
SCHEMBL21363449 0.70 ADORA2A (0.38) ADORA2BADORA2AGDAPIK3CDPOLB
SCHEMBL25165827 0.69 TRPA1 (0.36) TRPA1
SCHEMBL22477644 0.68 ADORA2A (0.39) ADORA2BADORA2AGDAPIK3CDPOLB
SCHEMBL21363441 0.68 ADORA2A (0.36) ADORA2BADORA2AGDAPIK3CDPOLB

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 ADORA2B 314/4885ADORA2A 370/4885GDA 4587/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ADORA2B 55/4885ADORA2A 120/4885GDA 4450/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2B 129/4885ADORA2A 209/4885GDA 4649/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ADORA2B 55/4885ADORA2A 120/4885GDA 4450/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ADORA2B 129/4885ADORA2A 209/4885GDA 4649/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2B 129/4885ADORA2A 209/4885GDA 4649/4885

“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.