SCHEMBL23199749

SCHEMBL23199749

c1ccc(COc2cncc(N3CC4CNCC4C3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.67
CHRNA4 P43681 6/20 0.67
CHRNA7 P36544 3/20 0.50
CHRNB4 P30926 3/20 0.50
CHRNA3 P32297 3/20 0.50
BPTF Q12830 1/20 0.50

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
SCHEMBL1134480 1.00 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7685793 0.88 CHRNB4 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1134598 0.85 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL23199754 0.85 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL21667714 0.83 BPTF (0.58) CHRNB2CHRNA4CHRNA7BPTF
SCHEMBL21667797 0.83 BPTF (0.61) CHRNB2CHRNA4CHRNA7BPTF
Hydrochloric Acid SCHEMBL20510336 0.82 BPTF (0.56) CHRNB2CHRNA4CHRNA7BPTF
Hydrochloric Acid SCHEMBL20510424 0.82 BPTF (0.59) CHRNB2CHRNA4CHRNA7BPTF
SCHEMBL649887 0.82 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL649885 0.82 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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-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 claimed
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 claimed
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 CHRNB2 1327/4885CHRNA4 1249/4885CHRNA7 2469/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 CHRNB2 1327/4885CHRNA4 1249/4885CHRNA7 2469/4885

“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.