SCHEMBL25538861

SCHEMBL25538861

C[C@H](N)c1ccc(C(CC2CC2)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DPP4 P27487 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GPR119 Q8TDV5 8/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ STS P08842 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 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
SCHEMBL24170982 0.92 NPC1 (0.39) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL24170998 0.92 GPR119 (0.40) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL24171006 0.91 GPR119 (0.42) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL24170991 0.91 NPC1 (0.40) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538864 0.87 HTT (0.38) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL25538904 0.87 NPC1 (0.36) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL19700997 0.86 ALDH1A1 (0.49) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL21799052 0.86 ALDH1A1 (0.49) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL20289589 0.86 ALDH1A1 (0.49) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL20270574 0.86 ALDH1A1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 — — US disclosed
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 (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-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B NPC1 2367/4885ALDH1A1 123/4885MAPT 2754/4885
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B NPC1 3118/4885ALDH1A1 99/4885MAPT 3538/4885

“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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