SCHEMBL3776529

SCHEMBL3776529

COCCC(=O)N1CCC(Nc2nccc3[nH]nc(C)c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.53
LRRK2 Q5S007 5/20 0.49
BRD4 O60885 2/20 0.44
ATAD2 Q6PL18 2/20 0.44
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
NOS3 P29474 2/20 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
SCHEMBL3769181 0.84 LRRK2 (0.52) LRRK2BRD4TLR8TLR7
SCHEMBL381679 0.84 LRRK2 (0.51) BTKLRRK2
SCHEMBL3768924 0.80 LRRK2 (0.48) BTKLRRK2
SCHEMBL3715167 0.80 NOS1 (0.52) LRRK2NOS1NOS2NOS3
SCHEMBL3780521 0.78 LRRK2 (0.53) BTKLRRK2BRD4ATAD2
SCHEMBL3774010 0.78 TLR8 (0.53) LRRK2BRD4ATAD2TLR8TLR7
SCHEMBL3766197 0.77 LRRK2 (0.61) LRRK2
SCHEMBL3775093 0.75 LRRK2 (0.63) LRRK2
SCHEMBL3769161 0.75 LRRK2 (0.63) LRRK2
SCHEMBL3771723 0.74 LRRK2 (0.54) BTKLRRK2

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 BTK 939/4885LRRK2 2309/4885BRD4 347/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 BTK 928/4885LRRK2 2208/4885BRD4 347/4885

“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.