SCHEMBL24170417

SCHEMBL24170417

CC(c1ccc(C2(N)CC2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP3A5 P20815 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ CTSD P07339 1/20 0.38

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
SCHEMBL24170405 0.88 ALDH1A1 (0.45) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL25538910 0.86 HTT (0.38) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL24170425 0.85 HTT (0.43) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL24170451 0.85 ATM (0.42) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL24170420 0.84 ATM (0.41) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL24170419 0.84 ALDH1A1 (0.46) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL21399850 0.84 ALDH1A1 (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL24170432 0.83 OPRD1 (0.41) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL24170407 0.82 ALDH1A1 (0.47) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL24170421 0.82 ALDH1A1 (0.47) ALDH1A1HTTMAPTNPC1MAPK1

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-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — US disclosed
WO-2022001916-A1 IDH MUTANT INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2022-01-06 — — WO 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 ALDH1A1 123/4885HTT 267/4885MAPT 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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