SCHEMBL10277927

SCHEMBL10277927

CCN1CCN(c2ccc(C#N)cc2N=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 2/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
DRD3 P35462 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 3/20 0.39
TP53 P04637 2/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
POLB P06746 1/20 0.37
CYP2C9 P11712 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
SCHEMBL3550984 0.80 MAPT (0.53) MAPTGAARAD52GFERCYP2D6
SCHEMBL3554570 0.79 GAA (0.51) DRD2MAPTGAARAD52GFER
SCHEMBL3551611 0.79 MAPT (0.54) MAPTGAARAD52GFERLMNA
SCHEMBL18550985 0.79 ADRA1D (0.52) DRD2MAPTGAARAD52GFER
SCHEMBL29818036 0.76 ALDH1A1 (0.45) DRD2MAPTGAARAD52GFER
SCHEMBL3545115 0.76 KDM2B (0.46) DRD2MAPTGAARAD52GFER
SCHEMBL3551745 0.75 CHRNA7 (0.51) DRD2MAPTGAARAD52GFER
SCHEMBL3541856 0.75 CA12 (0.47) DRD2MAPTGAARAD52GFER
SCHEMBL10276785 0.75 MAPT (0.41) MAPTGAARAD52GFERLMNA
SCHEMBL3551011 0.75 ALDH1A1 (0.41) MAPTGAARAD52GFERLMNA

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 DRD2 3571/4885MAPT 1330/4885GAA 3904/4885

“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.