SCHEMBL23701407

SCHEMBL23701407

CCOc1ccc(N2CC3CN(C(=O)O)CC3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
ACACB O00763 16/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
BACE1 P56817 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL23701363 0.84 ACACB (0.53) ACACBALDH1A1KMT2A
SCHEMBL23701362 0.84 ACACB (0.53) ACACBALDH1A1KMT2A
SCHEMBL23701364 0.83 GPR119 (0.52) MAPTPKMMAPK1ACACBALDH1A1
SCHEMBL23732377 0.83 GPR119 (0.52) MAPTPKMMAPK1ACACBALDH1A1
SCHEMBL27400138 0.82 KMT2A (0.46) ACACBKMT2A
SCHEMBL23732382 0.82 FKBP1A (0.57) MAPTMAPK1NPC1ALDH1A1TP53
SCHEMBL23701429 0.81 ACACB (0.46) ACACBKMT2A
SCHEMBL23701430 0.81 ACACB (0.46) ACACBKMT2A
SCHEMBL23701469 0.81 KMT2A (0.43) MAPTPKMMAPK1ACACBALDH1A1
SCHEMBL27400141 0.81 HPGD (0.52) ACACB

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 MAPT 4829/4885PKM 2431/4885MAPK1 1408/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 MAPT 4829/4885PKM 2431/4885MAPK1 1408/4885

“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.