SCHEMBL23701419

SCHEMBL23701419

O=C(NCCO)N1C[C@@H]2CN(c3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ASAH1 Q13510 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
FAAH O00519 5/20 0.36
SYK P43405 2/20 0.35
CHRM4 P08173 2/20 0.35
TP53 P04637 1/20 0.34
WNT3A P56704 1/20 0.34
CASR P41180 1/20 0.34
KDM1A O60341 1/20 0.34
ABHD6 Q9BV23 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL23701417 1.00 KDM4E (0.45) KDM4EALDH1A1ASAH1DRD2DRD3
SCHEMBL23701415 0.90 DRD2 (0.37) KDM4EALDH1A1DRD2DRD3CHRM4
SCHEMBL27400148 0.89 ALDH1A1 (0.46) KDM4EALDH1A1ASAH1DRD2DRD3
SCHEMBL23701359 0.86 ALDH1A1 (0.48) KDM4EALDH1A1FAAHSYKHDAC3
SCHEMBL23701357 0.86 ALDH1A1 (0.48) KDM4EALDH1A1FAAHSYKHDAC3
SCHEMBL27400039 0.82 TP53 (0.41) KDM4EALDH1A1TP53
SCHEMBL23701441 0.81 GAA (0.47) KDM4EALDH1A1TP53
SCHEMBL23701440 0.81 GAA (0.47) KDM4EALDH1A1TP53
SCHEMBL23701414 0.79 ALDH1A1 (0.48) KDM4EALDH1A1FAAHSYKABHD6
SCHEMBL23701377 0.79 POLB (0.46) KDM4EALDH1A1

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-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-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-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
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 KDM4E 685/4885ALDH1A1 765/4885ASAH1 943/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 KDM4E 685/4885ALDH1A1 765/4885ASAH1 943/4885

“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.