SCHEMBL23701353

SCHEMBL23701353

CCOc1ccc(N2C[C@H]3CN(C(=O)N4CCN(S(C)(=O)=O)CC4)C[C@H]3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
YAP1 P46937 1/20 0.46
TEAD4 Q15561 1/20 0.46
TEAD2 Q15562 1/20 0.46
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
ACACB O00763 3/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL23701352 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1PKMSMN1; SMN2MEN1
SCHEMBL23732382 0.85 FKBP1A (0.57) ALDH1A1NPSR1SMN1; SMN2MAPTMAPK1
SCHEMBL23701469 0.84 KMT2A (0.43) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL23701470 0.83 KMT2A (0.42) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL23701472 0.83 KMT2A (0.42) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL23701376 0.82 ACACB (0.47) ALDH1A1PKMMAPTMAPK1ACACB
SCHEMBL23701375 0.82 ACACB (0.47) ALDH1A1PKMMAPTMAPK1ACACB
SCHEMBL23701449 0.80 ALDH1A1 (0.45) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL23701448 0.80 ALDH1A1 (0.45) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL2155738 0.80 NPSR1 (0.59) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A

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 ALDH1A1 765/4885NPSR1 363/4885PKM 2431/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 ALDH1A1 765/4885NPSR1 363/4885PKM 2431/4885

“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.