SCHEMBL29923922

SCHEMBL29923922

CC(C)(C)OC(=O)c1cccnc1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.56
PRKCI P41743 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.44
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
P2RX7 Q99572 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
VCP P55072 2/20 0.38
GRM6 O15303 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL1292847 1.00 NAPRT (0.56) NAPRTPRKCIKDM4EALDH1A1POLB
SCHEMBL22978782 0.88 NAPRT (0.50) NAPRTPRKCIKDM4EALDH1A1POLB
SCHEMBL2633213 0.81 P2RX7 (0.56) NAPRTKDM4EALDH1A1POLBADRA1A
SCHEMBL30441012 0.81 KDM4E (0.46) KDM4EALDH1A1POLBADRA1AADRA1B
SCHEMBL163493 0.81 POLB (0.45) NAPRTKDM4EALDH1A1POLBADRA1A
SCHEMBL29412876 0.81 NAPRT (0.61) NAPRTPRKCIKDM4EALDH1A1POLB
SCHEMBL167456 0.81 NAPRT (0.61) NAPRTPRKCIKDM4EALDH1A1POLB
SCHEMBL30665207 0.81 ALDH1A1 (0.42) NAPRTKDM4EALDH1A1POLBADRA1A
SCHEMBL30665208 0.81 ALDH1A1 (0.42) NAPRTKDM4EALDH1A1POLBADRA1A
SCHEMBL219458 0.80 NAPRT (0.66) NAPRTPRKCIKDM4EALDH1A1NOS3

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-20220298152-A1 BACE1 INHIBITORS HOFFMANN LA ROCHE (US) 2022-09-22 US disclosed
US-11447478-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-09-20 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-11447478-B2 BACE1 inhibitors BACE1, BACE2, APP NAPRT 998/4885PRKCI 3832/4885KDM4E 3214/4885
US-20220298152-A1 BACE1 INHIBITORS BACE1, BACE2, APP NAPRT 1023/4885PRKCI 3844/4885KDM4E 3137/4885

“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.