SCHEMBL3551745

SCHEMBL3551745

CCN1CCN(c2ccccc2N=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.51
DRD2 P14416 4/20 0.46
DRD3 P35462 2/20 0.46
HTR6 P50406 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
RAD52 P43351 3/20 0.42
GFER P55789 2/20 0.42
KDM1A O60341 1/20 0.42
CHRM1 P11229 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL14612493 0.81 ADRA2C (0.55) DRD2DRD3HTR6MAPTLMNA
SCHEMBL3550984 0.80 MAPT (0.53) CHRNA7MAPTGAARAD52GFER
SCHEMBL3544837 0.78 TRPC5 (0.39)
SCHEMBL3551611 0.78 MAPT (0.54) HTR6MAPTGAARAD52GFER
SCHEMBL13798999 0.77 PARP1 (0.35) DRD2DRD3MAPTGAAKDM4E
SCHEMBL21261268 0.77 SMN1; SMN2 (0.46) CHRNA7MAPTGAAGFERSMN1; SMN2
SCHEMBL10277930 0.76 CHRM1 (0.46) DRD2HTR6HRH3MAPTCHRM1
SCHEMBL11096500 0.76 CHRNA7 (0.59) CHRNA7DRD2DRD3HTR6HRH3
SCHEMBL12126914 0.75 GAA (0.58) CHRNA7DRD2DRD3HTR6HRH3
SCHEMBL9565835 0.75 KDM4E (0.66) CHRNA7DRD2DRD3CHRM1KDM4E

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 CHRNA7 274/4885DRD2 3571/4885DRD3 3387/4885

“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.