SCHEMBL23701485

SCHEMBL23701485

CCOc1ccc(N2CC3CN(CCCC#N)CC3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL23701487 1.00 ACACB (0.44) ACACBGAANPC1ALDH1A1TP53
SCHEMBL27399973 0.83 HTR7 (0.46) MAPTSMN1; SMN2HTR7TMEM97HRH3
SCHEMBL23701361 0.79 HRH3 (0.50) GAANPC1ALDH1A1TP53MAPT
SCHEMBL23701360 0.79 HRH3 (0.50) GAANPC1ALDH1A1TP53MAPT
SCHEMBL23701431 0.79 GAA (0.43) ACACBGAANPC1ALDH1A1TP53
SCHEMBL23701427 0.79 GAA (0.43) ACACBGAANPC1ALDH1A1TP53
SCHEMBL23701401 0.78 HRH3 (0.35) GAAALDH1A1MAPTHTR7TMEM97
SCHEMBL23701422 0.77 KDM4E (0.42) GAANPC1ALDH1A1MAPTRAB9A
SCHEMBL23701421 0.77 KDM4E (0.42) GAANPC1ALDH1A1MAPTRAB9A
SCHEMBL23701405 0.75 KDM4E (0.40) GAAALDH1A1MAPTHTR7TMEM97

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 ACACB 4191/4885GAA 867/4885NPC1 3979/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 ACACB 4191/4885GAA 867/4885NPC1 3979/4885

“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.