SCHEMBL3768522

SCHEMBL3768522

Cc1n[nH]c2ccnc(O[C@H](C)Cc3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
LRRK2 Q5S007 10/20 0.40
MAPK8 P45983 2/20 0.36
MAPK1 P28482 3/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
NISCH Q9Y2I1 3/20 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
SCHEMBL3775342 1.00 SIGMAR1 (0.40) SIGMAR1LRRK2MAPK8MAPK1MAOA
SCHEMBL3764048 0.84 LRRK2 (0.53) LRRK2
SCHEMBL382684 0.84 LRRK2 (0.53) LRRK2
SCHEMBL19566976 0.83 LRRK2 (0.43) LRRK2
SCHEMBL3774953 0.82 LRRK2 (0.43) LRRK2
SCHEMBL19564540 0.82 LRRK2 (0.43) LRRK2
SCHEMBL3778607 0.81 L3MBTL1 (0.47) LRRK2MAPK8MAPK1MAOA
SCHEMBL3771912 0.78 LRRK2 (0.46) LRRK2
SCHEMBL3775321 0.78 LRRK2 (0.46) LRRK2
SCHEMBL16857691 0.78 LRRK2 (0.46) 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 SIGMAR1 124/4885LRRK2 2309/4885MAPK8 1739/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 SIGMAR1 116/4885LRRK2 2208/4885MAPK8 1759/4885

“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.