SCHEMBL23701431

SCHEMBL23701431

CCOc1ccc(N2C[C@]3(C)CN(CCCC#N)C[C@]3(C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BACE1 P56817 1/20 0.41
ACACB O00763 2/20 0.37
DRD2 P14416 1/20 0.37
CCR1 P32246 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL23701427 1.00 GAA (0.43) GAAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL27402251 0.91 GAA (0.38) GAAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL27400157 0.88 MAPT (0.41) GAAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL27400061 0.83 L3MBTL1 (0.36) MAPTSMN1; SMN2DRD2KMT2AL3MBTL1
SCHEMBL23701487 0.79 ACACB (0.44) GAAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL23701485 0.79 ACACB (0.44) GAAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL23732383 0.77 KDM4E (0.38) GAAMAPTALDH1A1DRD2KDM4E
SCHEMBL23701476 0.75 KDM4E (0.40) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL23701477 0.75 KDM4E (0.40) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL23701464 0.74 MAPT (0.53) GAAMAPTALDH1A1TP53SMN1; SMN2

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 GAA 867/4885MAPT 4829/4885ALDH1A1 765/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 GAA 867/4885MAPT 4829/4885ALDH1A1 765/4885

“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.