SCHEMBL23701448

SCHEMBL23701448

CCOc1ccc(N2CC3CN(C(=O)N4CCC(C#N)CC4)CC3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
ACACB O00763 12/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
F2R P25116 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL23701449 1.00 ALDH1A1 (0.45) ALDH1A1TP53ACACBMAPTLMNA
SCHEMBL20907887 0.85 ALDH1A1 (0.50) ALDH1A1TP53MAPTLMNAPKM
SCHEMBL23732382 0.83 FKBP1A (0.57) ALDH1A1TP53MAPTLMNAMAPK1
SCHEMBL23701469 0.82 KMT2A (0.43) ALDH1A1TP53ACACBMAPTPKM
SCHEMBL22567457 0.81 MAPT (0.42) ALDH1A1TP53ACACBMAPTLMNA
SCHEMBL23701472 0.81 KMT2A (0.42) ALDH1A1TP53ACACBMAPTPKM
SCHEMBL23701470 0.81 KMT2A (0.42) ALDH1A1TP53ACACBMAPTPKM
SCHEMBL23701376 0.80 ACACB (0.47) ALDH1A1TP53ACACBMAPTPKM
SCHEMBL23701375 0.80 ACACB (0.47) ALDH1A1TP53ACACBMAPTPKM
SCHEMBL23701353 0.80 ALDH1A1 (0.49) ALDH1A1TP53ACACBMAPTPKM

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 3 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
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 ALDH1A1 765/4885TP53 2472/4885ACACB 4191/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 ALDH1A1 765/4885TP53 2472/4885ACACB 4191/4885

“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.