SCHEMBL462942

SCHEMBL462942

NCCNC(=O)C1CCc2nc(-c3ccccc3O)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.39
DRD2 P14416 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PDK1 Q15118 1/20 0.35
SCN3A Q9NY46 3/20 0.35
SCN9A Q15858 4/20 0.35
SCN4A P35499 2/20 0.35
SCN5A Q14524 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL408331 0.77 PDK1 (0.59) LIMK1ALDH1A1PDK1KDM4EHTR2B
SCHEMBL439305 0.77 CDC7 (0.35) LIMK1ALDH1A1PDK1KDM4E
SCHEMBL441171 0.76 PDK1 (0.36) DRD2HRH2HRH1DRD3HRH4
SCHEMBL438511 0.74 SMN1; SMN2 (0.39) DRD2HRH2HRH1DRD3HRH4
SCHEMBL463682 0.67 MTNR1A (0.48)
SCHEMBL13314816 0.63 RAB9A (0.50) DRD2HRH2HRH1DRD3HRH4
SCHEMBL3533425 0.63 RAB9A (0.50) DRD2HRH2HRH1DRD3HRH4
SCHEMBL30839548 0.62 ROCK2 (0.38) DRD2DRD3
SCHEMBL13314812 0.61 RAB9A (0.47) ALDH1A1KDM4E
SCHEMBL3538338 0.61 RAB9A (0.47) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT LIMK1 4784/4885DRD2 3020/4885HRH2 3274/4885

“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.