SCHEMBL25538971

SCHEMBL25538971

C[C@H](N)c1ccc(C(CC2(C)CC2)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ ATM Q13315 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GLS O94925 1/20 0.32

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
SCHEMBL24170056 0.87 ALDH1A1 (0.43) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL25538864 0.87 HTT (0.38) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL25538870 0.86 HTT (0.37) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL25538977 0.86 HTT (0.36) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL25538861 0.83 NPC1 (0.40) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL24170998 0.78 GPR119 (0.40) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL24170982 0.78 NPC1 (0.39) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL18459272 0.77 RORC (0.50) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL21541346 0.77 RORC (0.50) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL24170991 0.77 NPC1 (0.40) HTTNPC1ALDH1A1MAPTMAPK1

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 HTT 267/4885NPC1 2367/4885ALDH1A1 123/4885

“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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