SCHEMBL3766780

SCHEMBL3766780

Cc1n[nH]c2ccnc(NCC3CC3)c12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.64
UTS2R Q9UKP6 4/20 0.55
GRM4 Q14833 2/20 0.46
BRD4 O60885 2/20 0.41
ATAD2 Q6PL18 2/20 0.41
ACHE P22303 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL3770309 0.93 UTS2R (0.58) LRRK2UTS2RGRM4BRD4ATAD2
SCHEMBL3768670 0.91 LRRK2 (0.54) LRRK2UTS2RGRM4
SCHEMBL3775468 0.81 UTS2R (0.61) LRRK2UTS2RGRM4
SCHEMBL3766197 0.78 LRRK2 (0.61) LRRK2UTS2RGRM4
SCHEMBL3775019 0.78 UTS2R (0.55) LRRK2UTS2R
SCHEMBL3774710 0.77 NUDT1 (0.38) LRRK2UTS2RBRD4
SCHEMBL3802626 0.77 UTS2R (0.43) LRRK2UTS2R
SCHEMBL19548033 0.77 LRRK2 (0.38) LRRK2
SCHEMBL3775093 0.76 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL3769161 0.76 LRRK2 (0.63) LRRK2UTS2R

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 2309/4885UTS2R 452/4885GRM4 1109/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885UTS2R 454/4885GRM4 1107/4885

“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.