SCHEMBL22014811

SCHEMBL22014811

C[C@@]12CNC[C@]1(C)CN(c1ccc(N3CCS(=O)(=O)CC3)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM5B Q9UGL1 1/20 0.38
ADRB1 P08588 3/20 0.37
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
SIRT6 Q8N6T7 2/20 0.36
RORC P51449 2/20 0.36
ALK Q9UM73 1/20 0.35
FAAH O00519 2/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL23701437 0.80 KDM4E (0.55) KDM4EALDH1A1FAAH
SCHEMBL23732563 0.79 KDM4E (0.50) KDM4EALDH1A1FAAH
SCHEMBL22015789 0.77 ALDH1A1 (0.50) KDM4EALDH1A1ADRB1PDGFRB
SCHEMBL23701390 0.77 ALDH1A1 (0.47) KDM4EALDH1A1OPRM1ALKFAAH
SCHEMBL23701387 0.77 ALDH1A1 (0.47) KDM4EALDH1A1OPRM1ALKFAAH
SCHEMBL10510808 0.77 KDM4E (0.58) KDM4EALDH1A1ADRB1SIRT6HTR3E
SCHEMBL23701432 0.76 GAA (0.47) KDM4EALDH1A1RORCFAAH
SCHEMBL27400005 0.76 GAA (0.47) KDM4EALDH1A1RORCFAAH
SCHEMBL22014810 0.76 ALDH1A1 (0.49) KDM4EALDH1A1ADRB1SIRT6HTR3E
Water SCHEMBL10512053 0.75 KDM4E (0.56) KDM4EALDH1A1ADRB1SIRT6HTR3E

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 4 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
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 (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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 KDM4E 849/4885ALDH1A1 122/4885KDM5B 524/4885
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 KDM4E 685/4885ALDH1A1 765/4885KDM5B 745/4885

“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.