SCHEMBL6701676

SCHEMBL6701676

Nc1ccc(N2CCN(Cc3ccc[nH]3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.55
DRD2 P14416 8/20 0.55
DRD3 P35462 6/20 0.55
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 4/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
OPRK1 P41145 3/20 0.37

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
SCHEMBL6701280 0.79 DRD4 (0.75) DRD4DRD2DRD3KMT2AALDH1A1
SCHEMBL2744707 0.78 ALDH1A1 (0.61) DRD4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27563358 0.76
SCHEMBL3968181 0.76 DRD2 (0.73) DRD4DRD2DRD3HTR1AALOX15
SCHEMBL29499599 0.76 GRIN2D (0.59) DRD4DRD2DRD3GRIN2DGRIN3B
SCHEMBL19998348 0.76 GRIN2D (0.59) DRD4DRD2DRD3GRIN2DGRIN3B
SCHEMBL2744468 0.75 ALDH1A1 (0.53) DRD4DRD2DRD3GRIN2DGRIN3B
SCHEMBL1682870 0.74 GAA (0.57) DRD4DRD2DRD3GRIN2DGRIN3B
SCHEMBL2744105 0.74 CASP1 (0.52) DRD4DRD2DRD3GRIN2DGRIN3B
SCHEMBL2744864 0.74 HRH3 (0.60) DRD4GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors SMITHKLINE BEECHAM CORPORATION 2004-01-15 US claimed
EP-1289982-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP claimed
WO-2001096327-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APoB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-20 WO claimed
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors SMITHKLINE BEECHAM CORPORATION 2004-01-15 US disclosed
EP-1289982-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001096327-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APoB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-20 WO 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-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors APOB, APOL1, TTR DRD4 3005/4885DRD2 3054/4885DRD3 2396/4885

“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.