SCHEMBL3781853

SCHEMBL3781853

Cc1n[nH]c2ccnc(OCC3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GRM4 Q14833 1/20 0.36

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
SCHEMBL3768348 0.93 LRRK2 (0.45) LRRK2MAOAMAOBGRM4
SCHEMBL381290 0.80 LRRK2 (0.58) LRRK2GRM4
SCHEMBL883343 0.78 LRRK2 (0.64) LRRK2
SCHEMBL3768647 0.78 LRRK2 (0.64) LRRK2
SCHEMBL382602 0.77 LRRK2 (0.65) LRRK2
SCHEMBL3769191 0.77 LRRK2 (0.65) LRRK2
SCHEMBL3773021 0.77 LRRK2 (0.40) LRRK2MAOAGRM4
SCHEMBL3775198 0.76 LRRK2 (0.51) LRRK2
SCHEMBL3775196 0.76 LRRK2 (0.51) LRRK2
SCHEMBL19548038 0.75 LRRK2 (0.44) LRRK2GRM4

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 2309/4885MAOA 2646/4885MAOB 2172/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885MAOA 2624/4885MAOB 2185/4885

“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.