SCHEMBL21363490

SCHEMBL21363490

Cn1c(=O)cnc2ncn(C(C)(C)C)c(=O)c21

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PIK3CD O00329 1/20 0.30
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
NTSR1 P30989 1/20 0.30
MC3R P41968 1/20 0.30
NOTUM Q6P988 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
GDA Q9Y2T3 1/20 0.30
NR2E1 Q9Y466 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
SCHEMBL21363439 0.80 ADORA2A (0.41) ALDH1A1LMNAPIK3CDPOLBADORA3
SCHEMBL21363440 0.76 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL21363595 0.76 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL21363381 0.76 TRPA1 (0.34) ALDH1A1LMNA
SCHEMBL21363367 0.74 TRPA1 (0.36) LMNA
SCHEMBL21363377 0.74 TRPA1 (0.36) LMNA
SCHEMBL21363374 0.73 TRPA1 (0.37) ALDH1A1LMNA
SCHEMBL21363366 0.73 ADORA2A (0.37) ALDH1A1LMNAPIK3CDPOLBADORA3
SCHEMBL21363473 0.72 TRPA1 (0.41) ALDH1A1LMNA
SCHEMBL21363361 0.69 ALDH1A1 (0.41) ALDH1A1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885PIK3CD 3752/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885PIK3CD 3752/4885

“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.