SCHEMBL30002126

SCHEMBL30002126

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.48

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
SCHEMBL22163627 0.91 HDAC1 (0.62) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL30001961 0.91 HDAC1 (0.53) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL30002020 0.91 ALDH1A1 (0.65) ALDH1A1HDAC1HDAC2MEN1KMT2A
SCHEMBL30002074 0.90 MAOB (0.54) ALDH1A1HDAC1MEN1KMT2APKM
SCHEMBL22163586 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL10233953 0.84 NPC1 (0.53) ALDH1A1HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL28622865 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL608156 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL22399147 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL13374829 0.82 ALDH1A1 (0.74) ALDH1A1MEN1KMT2APKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034083-A1 METHODS FOR PREPARING BENZYLOXYBENZYLAMINE AMINO ACID DERIVATIVES AMTIXBIO CO., LTD. (KR) 2025-01-30 US disclosed
CN-117677382-A Benzyloxy benzylamino amino acid derivatives that modulate TSLP/TSLPR signaling 阿米蒂比奥有限公司 2024-03-08 CN disclosed
CN-110325509-B Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2024-02-02 CN disclosed
CN-116836083-A Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2023-10-03 CN disclosed
WO-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 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-20250034083-A1 METHODS FOR PREPARING BENZYLOXYBENZYLAMINE AMINO ACID DERIVATIVES BCAT2, BCAT1, DAO ALDH1A1 3211/4885HDAC1 3967/4885HDAC2 2291/4885

“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.