SCHEMBL3774944

SCHEMBL3774944

O=C(/C=C/N1CCC[C@H](c2ccccc2)C1)c1n[nH]c2ccnc(OC3CCCCC3)c12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.55
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PROKR1 Q8TCW9 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL3775069 0.90 LRRK2 (0.43) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL13006073 0.80 LRRK2 (0.59) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL3774947 0.80 LRRK2 (0.59) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL27848195 0.78 LRRK2 (0.57) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL27848191 0.78 LRRK2 (0.57) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL10224702 0.77 LRRK2 (0.75) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL13834209 0.77 LRRK2 (0.75) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL3774839 0.77 KDM4E (0.41) LRRK2ALDH1A1RECQL
SCHEMBL3775072 0.70 MAPT (0.50) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL13006068 0.70 MAPT (0.50) LRRK2KDM5AKDM4CKDM5BPROKR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2309/4885KDM5A 4287/4885KDM4C 2730/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885KDM5A 4306/4885KDM4C 2752/4885

“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.