SCHEMBL23701455

SCHEMBL23701455

CC12CN(Cc3ccccc3)CC1(C)C(=O)N(c1ccc(Br)cc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ELANE P08246 4/20 0.46
CXCR3 P49682 6/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CNR1 P21554 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
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 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
SCHEMBL27400110 1.00 GAA (0.52) GAAELANECXCR3MEN1TSHR
SCHEMBL23732392 0.82 POLB (0.49) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL27400009 0.80 GAA (0.46) GAAELANEMEN1KMT2AALDH1A1
SCHEMBL23701404 0.80 GAA (0.46) GAAELANEMEN1KMT2AALDH1A1
SCHEMBL23701402 0.79 GAA (0.45) GAAELANEMEN1TSHRKMT2A
SCHEMBL21963789 0.76 GAA (0.49) GAAMEN1TSHRKMT2AALDH1A1
SCHEMBL21963788 0.76 GAA (0.49) GAAMEN1TSHRKMT2AALDH1A1
SCHEMBL29597582 0.73 GAA (0.65) GAAELANEMEN1TSHRKMT2A
SCHEMBL22829822 0.72 GAA (0.63) GAAELANEMEN1TSHRKMT2A
SCHEMBL19464108 0.72 GAA (0.63) GAAELANEMEN1TSHRKMT2A

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 2 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

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 GAA 867/4885ELANE 1317/4885CXCR3 252/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 GAA 867/4885ELANE 1317/4885CXCR3 252/4885

“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.