SCHEMBL3767028

SCHEMBL3767028

CC1CN(C(=O)c2ccc(CCc3n[nH]c4ccnc(NC5CCCCC5)c34)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.47
PDE10A Q9Y233 2/20 0.38
MAPK10 P53779 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL3777344 0.92 LRRK2 (0.46) LRRK2MAPK10HPGD
SCHEMBL10225283 0.90 LRRK2 (0.49) LRRK2MAPK10
SCHEMBL13006057 0.89 LRRK2 (0.45) LRRK2MAPK10
SCHEMBL381702 0.87 LRRK2 (0.48) LRRK2
SCHEMBL883223 0.87 LRRK2 (0.55) LRRK2MAPK10ALDH1A1HPGD
SCHEMBL3775077 0.87 LRRK2 (0.48) LRRK2MAPK10HPGD
SCHEMBL3766638 0.85 LRRK2 (0.53) LRRK2PDE10A
SCHEMBL382086 0.85 LRRK2 (0.53) LRRK2ALDH1A1HPGD
SCHEMBL3771271 0.85 LRRK2 (0.47) LRRK2
SCHEMBL13006065 0.84 LRRK2 (0.47) LRRK2ALDH1A1HPGD

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 2309/4885PDE10A 2073/4885MAPK10 1450/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885PDE10A 2121/4885MAPK10 1554/4885

“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.