SCHEMBL13404455

SCHEMBL13404455

CCn1ccnc(N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.51
DRD4 P21917 8/20 0.51
DRD3 P35462 7/20 0.51
HTR1A P08908 7/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR2C P28335 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL13404452 0.90 TSHR (0.58) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL13404501 0.90 HTR3E (0.54) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL13404401 0.83 HTR1A (0.47) DRD2DRD4DRD3HTR1A
SCHEMBL13404400 0.77 DRD2 (0.51) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL13404396 0.73 ALDH1A1 (0.50) HTR1AALDH1A1TSHR
SCHEMBL13889793 0.72 TSHR (0.55) ALDH1A1TSHR
SCHEMBL13404470 0.71 GRM2 (0.50) DRD2
SCHEMBL13940607 0.71 ALDH1A1 (0.61) DRD2DRD4HTR1AALDH1A1
SCHEMBL13404436 0.71 MCHR1 (0.47) DRD2DRD4DRD3
SCHEMBL5239845 0.71 HTR3E (0.43) DRD2DRD4DRD3HTR1AALDH1A1

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-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 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-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 DRD2 34/4885DRD4 58/4885DRD3 36/4885

“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.