SCHEMBL23199745

SCHEMBL23199745

O=C1CC(CCBr)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.43
GLA P06280 1/20 0.39
CRBN Q96SW2 10/20 0.36
DDB1 Q16531 1/20 0.34
FFAR1 O14842 1/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
NPC1 O15118 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL10573688 0.86
SCHEMBL11274777 0.79 MAP3K14 (0.44) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL17907172 0.78 MAP3K14 (0.48) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL1838214 0.77 MAP3K14 (0.43) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL1536267 0.77 MAP3K14 (0.43) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL1056468 0.77 MAP3K14 (0.43) MAP3K14GLACRBNDDB1FFAR1
SCHEMBL18909611 0.74
SCHEMBL19839455 0.74
SCHEMBL5779882 0.74
SCHEMBL13378339 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US 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
EP-3802541-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-04-14 EP disclosed
CN-112243440-A Hexahydroxypyrrolo [3,4-c ] pyrrole derivatives useful as LOX inhibitors 癌症研究协会皇家癌症医院 2021-01-19 CN 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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 MAP3K14 3622/4885GLA 774/4885CRBN 592/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 MAP3K14 3622/4885GLA 774/4885CRBN 592/4885

“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.