SCHEMBL3554062

SCHEMBL3554062

Cc1cccc(C#N)c1N1CCN(CNO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.46
ALDH1A1 P00352 8/20 0.46
DRD2 P14416 5/20 0.46
KDM4E B2RXH2 5/20 0.46
DRD3 P35462 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR2A P28223 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
PMP22 Q01453 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
C5AR1 P21730 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3436602 0.79 DRD4 (0.47) DRD4ALDH1A1DRD2KDM4EDRD3
SCHEMBL3552452 0.79 MEN1 (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3470930 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AC5AR1
SCHEMBL3558028 0.76 DRD2 (0.36) DRD4ALDH1A1DRD2KDM4EDRD3
SCHEMBL17871835 0.76 TSHR (0.51) ALDH1A1KDM4EMEN1KMT2AC5AR1
SCHEMBL3551595 0.75 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL30164060 0.74 ADRB1 (0.50) ALDH1A1DRD2KDM4EDRD3CYP1A2
SCHEMBL3550856 0.72 HTR7 (0.51) DRD2DRD3LMNAKMT2AHTT
SCHEMBL10277545 0.70 ALDH1A1 (0.34) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3551695 0.70 FFAR4 (0.48) DRD4ALDH1A1DRD2KDM4EDRD3

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 DRD4 4535/4885ALDH1A1 975/4885DRD2 3571/4885

“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.