SCHEMBL3544960

SCHEMBL3544960

CCN1CCN(c2ncccc2N=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 1/20 0.42
CHIA Q9BZP6 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL28161560 0.80 CYP1A2 (0.55) KMT2ACYP1A2CYP2C19L3MBTL1LMNA
SCHEMBL14376921 0.79 MAPT (0.53) SMN1; SMN2KMT2AL3MBTL1CHRNA7LMNA
SCHEMBL14376529 0.78 GAA (0.50) SMN1; SMN2KMT2ALMNAMAPTMEN1
SCHEMBL14376531 0.78 CHKA (0.44) CYP1A2LMNAMAPT
SCHEMBL12668915 0.77 DRD4 (0.54) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL14377060 0.75 MAPT (0.60) SMN1; SMN2KMT2ALMNAMAPTMEN1
SCHEMBL14376913 0.75 CHRNB2 (0.47) DRD4
SCHEMBL3551745 0.75 CHRNA7 (0.51) SMN1; SMN2CHRNA7LMNAMAPT
SCHEMBL3688922 0.75 ACKR3 (0.52) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL3682685 0.73 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1

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 SMN1; SMN2 3601/4885KMT2A 1707/4885CYP1A2 1955/4885

“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.