SCHEMBL3226930

SCHEMBL3226930

O=C(CCN1CCNCC1)NC1CC[CH]CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.55
SIGMAR1 Q99720 5/20 0.52
CHRM3 P20309 2/20 0.52
CHRM5 P08912 1/20 0.52
RAD52 P43351 1/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 1/20 0.37
ATM Q13315 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17950903 0.89 SMYD3 (0.60) SMYD3SIGMAR1CHRM3CHRM5RAD52
SCHEMBL1316096 0.86 SIGMAR1 (0.69) SMYD3SIGMAR1CHRM3CHRM5RAD52
SCHEMBL3218381 0.86 SIGMAR1 (0.55) SMYD3SIGMAR1CHRM3POLBSMN1; SMN2
SCHEMBL1314827 0.85 SIGMAR1 (0.72) SMYD3SIGMAR1CHRM3CHRM5RAD52
SCHEMBL1316135 0.85 SIGMAR1 (0.72) SMYD3SIGMAR1CHRM3CHRM5RAD52
SCHEMBL1317304 0.81 SIGMAR1 (0.67) SMYD3SIGMAR1CHRM3CHRM5RAD52
SCHEMBL22528193 0.79 SIGMAR1 (0.57) SMYD3SIGMAR1CHRM3CHRM5GNAI3
SCHEMBL1314310 0.78 SIGMAR1 (0.51) SMYD3SIGMAR1CHRM3CHRM5RAD52
SCHEMBL1317967 0.77 SIGMAR1 (0.68) SMYD3SIGMAR1CHRM3CHRM5RAD52
SCHEMBL3231838 0.76 HPGD (0.54) SIGMAR1CHRM3CHRM5GNAI3GNAO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 SMYD3 4220/4885SIGMAR1 3905/4885CHRM3 4812/4885

“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.