SCHEMBL3768989

SCHEMBL3768989

O=C(CCc1n[nH]c2ccnc(NC3CCCCC3)c12)N1CCC[C@@H](c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.56
HTT P42858 1/20 0.40
PROKR1 Q8TCW9 2/20 0.39
PDE10A Q9Y233 2/20 0.39
GFER P55789 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL419523 1.00 LRRK2 (0.56) LRRK2HTTPROKR1PDE10AGFER
SCHEMBL29857021 1.00 LRRK2 (0.56) LRRK2HTTPROKR1PDE10AGFER
SCHEMBL419524 1.00 LRRK2 (0.56) LRRK2HTTPROKR1PDE10AGFER
SCHEMBL3783202 0.96 LRRK2 (0.51) LRRK2HTTPDE10A
SCHEMBL3770161 0.93 LRRK2 (0.51) LRRK2HTTPDE10A
SCHEMBL883323 0.93 LRRK2 (0.58) LRRK2
SCHEMBL13834165 0.93 LRRK2 (0.58) LRRK2
SCHEMBL3766790 0.92 LRRK2 (0.53) LRRK2HTTPDE10A
SCHEMBL3770269 0.89 LRRK2 (0.51) LRRK2PDE10AGFER
SCHEMBL3772617 0.88 LRRK2 (0.48) LRRK2

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 7 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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
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
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US 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 2309/4885HTT 738/4885PROKR1 548/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885HTT 768/4885PROKR1 559/4885

“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.