SCHEMBL2492875

SCHEMBL2492875

Nc1ccc(N2CCN(CCCNC(=O)O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.55
DRD3 P35462 2/20 0.55
DRD4 P21917 9/20 0.55
LMNA P02545 1/20 0.55
GFER P55789 1/20 0.55
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL13946746 0.96 DRD2 (0.61) DRD2DRD3DRD4
SCHEMBL2385946 0.89 DRD2 (0.60) DRD2DRD3DRD4
SCHEMBL1727871 0.87 DRD2 (0.71) DRD2DRD3DRD4LMNAGFER
SCHEMBL13946749 0.83 DRD2 (0.64) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL13946744 0.82 DRD2 (0.79) DRD2DRD3DRD4ADRA1A
SCHEMBL24257354 0.81 DRD2 (0.66) DRD2DRD4
SCHEMBL7126140 0.81 GFER (0.53) DRD2DRD3DRD4GFERKDM4E
SCHEMBL27197516 0.80 LMNA (0.47) DRD2DRD3DRD4LMNAGFER
Ammonia Solution, Strong SCHEMBL7120916 0.80 GFER (0.51) DRD2DRD3DRD4GFERKDM4E
SCHEMBL2386501 0.80 GFER (0.54) DRD2DRD3DRD4GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 DRD2 1948/4885DRD3 3151/4885DRD4 1822/4885

“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.