SCHEMBL4054282

SCHEMBL4054282

N#Cc1ccc(-c2cnc3nc(CCC4CCCC4)[nH]c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.52
HRH3 Q9Y5N1 3/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
RIPK1 Q13546 1/20 0.39
KCNH2 Q12809 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL4055947 0.85 NOS3 (0.53) USP30NOS3NOS1NOS2AAK1
SCHEMBL13607944 0.83 RIPK1 (0.44) USP30HRH3RIPK1AAK1HTR6
SCHEMBL4050514 0.81 PTGS2 (0.42) NOS3NOS1NOS2KCNH2AAK1
SCHEMBL4063852 0.77 USP30 (0.70) USP30HRH3RIPK1KCNH2
SCHEMBL4055961 0.77 GRIN1 (0.46) NOS3NOS1NOS2
SCHEMBL4050811 0.76 NOS3 (0.53) USP30NOS3NOS1NOS2RIPK1
SCHEMBL4052795 0.76 NOS3 (0.39) USP30NOS3NOS1NOS2AAK1
SCHEMBL4055566 0.76 SCD (0.41) USP30NOS3NOS1NOS2AAK1
SCHEMBL4056184 0.75 NOS3 (0.41) NOS3NOS1NOS2AAK1
SCHEMBL4059137 0.75 NOS3 (0.48) NOS3NOS1NOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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 (1 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B USP30 2997/4885HRH3 1429/4885NOS3 907/4885

“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.