SCHEMBL438511

SCHEMBL438511

CC(C)c1nc2c(s1)CC(C(=O)NCCN)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PDK1 Q15118 2/20 0.39
DRD3 P35462 5/20 0.36
DRD2 P14416 4/20 0.36
HRH2 P25021 3/20 0.36
HRH1 P35367 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADRA2A P08913 2/20 0.34
DRD4 P21917 2/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 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
SCHEMBL406838 0.75 PDK1 (0.68) SMN1; SMN2RAB9ANPC1PDK1ALDH1A1
SCHEMBL441171 0.75 PDK1 (0.36) SMN1; SMN2RAB9ANPC1PDK1DRD3
SCHEMBL443298 0.74 MTNR1A (0.41) SMN1; SMN2
SCHEMBL462942 0.74 LIMK1 (0.39) PDK1DRD3DRD2HRH2HRH1
SCHEMBL439305 0.73 CDC7 (0.35) SMN1; SMN2RAB9ANPC1PDK1ALDH1A1
SCHEMBL3538335 0.73 ADRA2A (0.41) SMN1; SMN2RAB9ANPC1PDK1DRD3
SCHEMBL13314812 0.72 RAB9A (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL3538338 0.72 RAB9A (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
Formic Acid SCHEMBL3603160 0.70 ADRA2A (0.39) SMN1; SMN2RAB9ANPC1PDK1DRD3
SCHEMBL3533425 0.70 RAB9A (0.50) SMN1; SMN2RAB9ANPC1PDK1DRD3

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
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 SMN1; SMN2 2301/4885RAB9A 1525/4885NPC1 142/4885

“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.