SCHEMBL3559294

SCHEMBL3559294

COc1ccc(C)c(N2CCN(CNO)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.37
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD3 P35462 4/20 0.34
HTR2A P28223 3/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 2/20 0.33
PI4KB Q9UBF8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYBB P04839 1/20 0.32
NOX3 Q9HBY0 1/20 0.32

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
SCHEMBL3436508 0.79 NNMT (0.43) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL3553792 0.73 DRD4 (0.50) DRD4
SCHEMBL14886147 0.68 CYP1A2 (0.38) HTR2AKMT2APOLBHTR2CALDH1A1
SCHEMBL3551183 0.67 ALDH1A1 (0.61) HTR1AHTTSMN1; SMN2DRD3DRD2
SCHEMBL3550856 0.66 HTR7 (0.51) HTTDRD3DRD2KMT2AGAA
SCHEMBL3436012 0.66 HTT (0.41) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL3552347 0.65 DRD2 (0.47) HTTSMN1; SMN2DRD3DRD2DRD4
SCHEMBL3553897 0.64 IGF1R (0.53) HTR1AHTTDRD2DRD4POLB
SCHEMBL19315148 0.63 HCRTR2 (0.39) HTR2AKMT2APOLBHTR2C
SCHEMBL3558028 0.63 DRD2 (0.36) HTTSMN1; SMN2DRD3HTR2ADRD2

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTR1A 1745/4885HTR3E 1490/4885HTR3B 1692/4885

“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.