SCHEMBL21963789

SCHEMBL21963789

CC12CN(Cc3ccccc3)CC1(C)CN(c1ccc(Br)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 3/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
IGF1R P08069 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
RORC P51449 1/20 0.41

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
SCHEMBL21963788 1.00 GAA (0.49) GAAMEN1TSHRKMT2ADRD4
SCHEMBL27400065 0.87 LMNA (0.54) GAAMEN1TSHRKMT2ADRD4
SCHEMBL23199736 0.81 POLB (0.55) GAAMEN1TSHRKMT2ADRD4
SCHEMBL23732400 0.81 POLB (0.55) GAAMEN1TSHRKMT2ADRD4
SCHEMBL27400005 0.80 GAA (0.47) GAAMEN1TSHRKMT2ADRD4
SCHEMBL23701432 0.80 GAA (0.47) GAAMEN1TSHRKMT2ADRD4
SCHEMBL26668393 0.76 DRD4 (0.77) TSHRDRD4ALDH1A1HPGDDUSP3
SCHEMBL23701455 0.76 GAA (0.52) GAAMEN1TSHRKMT2AALDH1A1
SCHEMBL27400110 0.76 GAA (0.52) GAAMEN1TSHRKMT2AALDH1A1
SCHEMBL29598556 0.74 GAA (0.61) GAAMEN1TSHRKMT2AALDH1A1

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 6 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-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

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 GAA 87/4885MEN1 3915/4885TSHR 3440/4885
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 GAA 867/4885MEN1 4448/4885TSHR 1496/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 GAA 867/4885MEN1 4448/4885TSHR 1496/4885

“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.