SCHEMBL23701432

SCHEMBL23701432

CC12CN(Cc3ccccc3)CC1(C)CN(c1ccc(N3CCS(=O)(=O)CC3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
DRD4 P21917 3/20 0.47
RORC P51449 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MC4R P32245 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
FAAH O00519 2/20 0.41
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL27400005 1.00 GAA (0.47) GAADRD4RORCMEN1KMT2A
SCHEMBL27400009 0.83 GAA (0.46) GAADRD4RORCMEN1KMT2A
SCHEMBL23701404 0.83 GAA (0.46) GAADRD4RORCMEN1KMT2A
SCHEMBL27400065 0.81 LMNA (0.54) GAADRD4MEN1KMT2AKDM4E
SCHEMBL21963789 0.80 GAA (0.49) GAADRD4RORCMEN1KMT2A
SCHEMBL21963788 0.80 GAA (0.49) GAADRD4RORCMEN1KMT2A
SCHEMBL27399995 0.76 DRD4 (0.49) DRD4RORCMEN1KMT2AKDM4E
SCHEMBL23701452 0.76 DRD4 (0.49) DRD4RORCMEN1KMT2AKDM4E
SCHEMBL22014811 0.76 KDM4E (0.50) RORCKDM4EFAAHALDH1A1
SCHEMBL23701437 0.76 KDM4E (0.55) MEN1KMT2AKDM4EFAAHALDH1A1

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
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

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 GAA 867/4885DRD4 953/4885RORC 2449/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 GAA 867/4885DRD4 953/4885RORC 2449/4885

“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.