SCHEMBL25538904

SCHEMBL25538904

CC(C)(C)OC(=O)N1CC2(C1)CN(C(CC1CC1)c1ccc(C3(N)CC3)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.35
▸ ATM Q13315 1/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ FPR3 P25089 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CTSE P14091 1/20 0.33
▸ RORC P51449 1/20 0.33

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
SCHEMBL25538908 0.97 NPC1 (0.35) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538932 0.97 NPC1 (0.35) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL23142096 0.88 ALDH1A1 (0.43) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538913 0.88 ATM (0.37) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538929 0.87 ATM (0.36) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538861 0.87 NPC1 (0.40) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538918 0.86 ATM (0.36) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538923 0.86 ATM (0.36) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL24170418 0.85 ALDH1A1 (0.43) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL24170414 0.85 ALDH1A1 (0.43) NPC1ALDH1A1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — 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 (1 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-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B NPC1 2367/4885ALDH1A1 123/4885MAPT 2754/4885

“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.

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