SCHEMBL20898342

SCHEMBL20898342

CC1(C)C[C@@H]2CN(CCCC#N)C[C@H]1N(c1ccc(N3CCS(=O)(=O)CC3)cc1)C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR7 P34969 1/20 0.31
ALK Q9UM73 1/20 0.31
RORC P51449 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL20907500 1.00 ALDH1A1 (0.32) ALDH1A1KDM4EHTR7ALKRORC
Hydrochloric Acid SCHEMBL22555786 0.99 ALDH1A1 (0.31) ALDH1A1KDM4EHTR7ALKRORC
SCHEMBL22567492 0.87
SCHEMBL20898311 0.81 KDM4E (0.35) ALDH1A1KDM4ECTSLCTSBCTSS
SCHEMBL22567429 0.81 KDM4E (0.35) ALDH1A1KDM4ECTSLCTSBCTSS
SCHEMBL20907252 0.81 KDM4E (0.35) ALDH1A1KDM4ECTSLCTSBCTSS
SCHEMBL24208967 0.80 ALDH1A1 (0.31) ALDH1A1KDM4ERORC
SCHEMBL22015103 0.80 ALDH1A1 (0.31) ALDH1A1KDM4ERORC
SCHEMBL24209224 0.80 ALDH1A1 (0.31) ALDH1A1KDM4ERORC
SCHEMBL22015375 0.80 ALDH1A1 (0.31) ALDH1A1KDM4ERORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060360-B2 Lysyl oxidase inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-08-13 US disclosed
CN-111212836-B Lysyl oxidase inhibitors 癌症研究所:皇家癌症医院 2023-12-15 CN disclosed
US-20220289757-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-09-15 US disclosed
US-11325915-B2 Lysyl oxidase inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-05-10 US disclosed
US-11325915-B2 Lysyl oxidase inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-05-10 US disclosed
US-20200331922-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-10-22 US disclosed
US-20200331922-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-10-22 US disclosed
EP-3694857-A1 LYSYL OXIDASE INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2020-08-19 EP disclosed
WO-2019073251-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-04-18 WO disclosed
WO-2019073251-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-04-18 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 (4 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-20200331922-A1 LYSYL OXIDASE INHIBITORS LOXL1, LOXL2, LOXL3 ALDH1A1 1199/4885KDM4E 974/4885HTR7 3182/4885
US-12060360-B2 Lysyl oxidase inhibitors LOXL1, LOXL2, LOXL3 ALDH1A1 1199/4885KDM4E 974/4885HTR7 3182/4885
US-20220289757-A1 LYSYL OXIDASE INHIBITORS LOXL1, LOXL2, LOXL3 ALDH1A1 1199/4885KDM4E 974/4885HTR7 3182/4885
US-11325915-B2 Lysyl oxidase inhibitors LOXL1, LOXL2, LOXL3 ALDH1A1 1199/4885KDM4E 974/4885HTR7 3182/4885

“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.