SCHEMBL23199732

SCHEMBL23199732

COc1ccc(N2CC3CN(Cc4ccccc4)CC3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.59
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH2 P25021 1/20 0.51
LMNA P02545 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL13859004 0.82 BCHE (0.56) DRD2DRD3
SCHEMBL16422747 0.81 GAA (0.51) DRD2DRD3MAPTL3MBTL1
SCHEMBL11923385 0.81 SIGMAR1 (0.79) SIGMAR1DRD2MAPTL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL11213408 0.79 SIGMAR1 (0.77) SIGMAR1DRD2MAPTL3MBTL1MEN1
SCHEMBL6572711 0.78 SIGMAR1 (0.64) SIGMAR1DRD2DRD3MEN1KMT2A
SCHEMBL5242542 0.78 FUCA1 (0.64) SIGMAR1DRD2DRD3
SCHEMBL23578325 0.77 BCHE (0.53) SIGMAR1MAPTLMNAMAPK1
SCHEMBL2876304 0.77 SIGMAR1 (0.72) SIGMAR1DRD2MAPTL3MBTL1KMT2A
SCHEMBL23701396 0.77 KMT2A (0.55) SIGMAR1DRD2DRD3MAPTL3MBTL1
SCHEMBL18205232 0.77 SIGMAR1 (0.57) SIGMAR1DRD2DRD3MAPTMEN1

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 3 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
EP-3802541-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-04-14 EP 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 SIGMAR1 975/4885DRD2 897/4885DRD3 824/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 SIGMAR1 975/4885DRD2 897/4885DRD3 824/4885

“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.