SCHEMBL22404973

SCHEMBL22404973

CC(C)(C)OC(=O)N1CCC(Nc2cncc(-c3cnc(Cl)nc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EGFR P00533 8/20 0.51
BTK Q06187 8/20 0.51
RIPK2 O43353 1/20 0.49
USP30 Q70CQ3 2/20 0.47
GPR119 Q8TDV5 2/20 0.45
CNR1 P21554 1/20 0.45
JAK1 P23458 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL22431592 0.94 USP30 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4929565 0.85 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL15205596 0.85 ALDH1A1 (0.60) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22400981 0.85 EGFR (0.73) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30091792 0.85 EGFR (0.73) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22400976 0.84 EGFR (0.75) ALDH1A1EGFRBTK
SCHEMBL30313815 0.84 EGFR (0.75) ALDH1A1EGFRBTK
SCHEMBL22405035 0.82 BTK (0.73) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL21525140 0.82 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL15205971 0.81 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 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-20200290997-A1 BTK INHIBITOR COMPOUNDS BTK, SYK, LCK ALDH1A1 4793/4885NPC1 3356/4885MAPT 2566/4885
US-11542249-B2 BTK inhibitor compounds BTK, SYK, LCK ALDH1A1 4731/4885NPC1 3309/4885MAPT 3030/4885

“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.