SCHEMBL21963784

SCHEMBL21963784

CCOc1ccc(N2CC3CNCC3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.66
CHRNA4 P43681 2/20 0.66
BPTF Q12830 1/20 0.54
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
BACE1 P56817 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NQO1 P15559 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
CHRNA7 P36544 1/20 0.44
ACACB O00763 7/20 0.44

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
SCHEMBL23732273 1.00 CHRNB2 (0.66) CHRNB2CHRNA4BPTFMAPTNPC1
Hydrochloric Acid SCHEMBL23199740 0.98 CHRNB2 (0.68) CHRNB2CHRNA4BPTFMAPTNPC1
SCHEMBL23732367 0.81 BPTF (0.59) CHRNB2CHRNA4BPTFSMN1; SMN2LMNA
SCHEMBL20510328 0.81 BPTF (0.59) CHRNB2CHRNA4BPTFSMN1; SMN2LMNA
SCHEMBL649885 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7
SCHEMBL649887 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL650002 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL650001 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7
SCHEMBL21667797 0.79 BPTF (0.61) CHRNB2CHRNA4BPTFMAPTNPC1
SCHEMBL23744796 0.79 MAPT (0.53) CHRNB2CHRNA4MAPTNPC1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365984-B LOX inhibitors 癌症研究协会皇家癌症医院 2024-10-15 CN 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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP 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
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO 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 (3 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 CHRNB2 3882/4885CHRNA4 4539/4885BPTF 3130/4885
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 CHRNB2 1327/4885CHRNA4 1249/4885BPTF 4706/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 CHRNB2 1327/4885CHRNA4 1249/4885BPTF 4706/4885

“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.