SCHEMBL23199731

SCHEMBL23199731

CC(C)Oc1cncc(N2CC3CNCC3C2)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.66
CHRNA4 P43681 6/20 0.66
CHRNB4 P30926 4/20 0.53
CHRNA3 P32297 4/20 0.53
CHRNA7 P36544 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
SCHEMBL7686344 0.86 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2329576 0.85 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649809 0.84 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649807 0.84 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL652898 0.83 CHRNB2 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL652899 0.83 CHRNB2 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649885 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649887 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL650002 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL650001 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 1249/4885CHRNB4 1283/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 CHRNB2 1327/4885CHRNA4 1249/4885CHRNB4 1283/4885

“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.