SCHEMBL23701437

SCHEMBL23701437

CC12CN(C(=O)O)CC1(C)CN(c1ccc(N3CCS(=O)(=O)CC3)cc1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 4/20 0.50
FAAH O00519 9/20 0.42
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 2/20 0.38
ABHD6 Q9BV23 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
WNT3A P56704 1/20 0.35
USP2 O75604 4/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL23701434 0.89 KDM4E (0.41) KDM4EALDH1A1CYP2C19MAPK1MEN1
SCHEMBL23732563 0.87 KDM4E (0.50) KDM4EALDH1A1FAAHCYP2C19ABHD6
SCHEMBL23701390 0.82 ALDH1A1 (0.47) KDM4EALDH1A1FAAHMEN1KMT2A
SCHEMBL23701483 0.82 ALDH1A1 (0.50) KDM4EALDH1A1FAAHCYP2C19ABHD6
SCHEMBL23732566 0.82 ALDH1A1 (0.50) KDM4EALDH1A1FAAHCYP2C19ABHD6
SCHEMBL23701387 0.82 ALDH1A1 (0.47) KDM4EALDH1A1FAAHMEN1KMT2A
SCHEMBL22014811 0.80 KDM4E (0.50) KDM4EALDH1A1FAAH
SCHEMBL23701399 0.80 ALDH1A1 (0.45) KDM4EALDH1A1FAAHMEN1KMT2A
SCHEMBL27400160 0.80 ALDH1A1 (0.45) KDM4EALDH1A1FAAHCYP2C19MAPK1
SCHEMBL23199735 0.79 AKR1C3 (0.42) ALDH1A1CYP2C19MAPK1KMT2AUSP2

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
CN-113365984-B LOX inhibitors 癌症研究协会皇家癌症医院 2024-10-15 CN disclosed
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 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-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 KDM4E 685/4885ALDH1A1 765/4885FAAH 1057/4885

“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.