SCHEMBL6702991

SCHEMBL6702991

NC(=O)CN1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.45
SLC27A1 Q6PCB7 4/20 0.44
OPRM1 P35372 2/20 0.44
OPRK1 P41145 1/20 0.44
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
DRD4 P21917 6/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL15650043 0.88 DRD2 (0.45) DRD2SLC27A1OPRM1OPRK1GRIN2D
SCHEMBL27808002 0.84 GRIN2D (0.44) DRD2SLC27A1GRIN2DGRIN3BGRIN1
SCHEMBL2145977 0.81 SMN1; SMN2 (0.48) DRD2SLC27A1DRD4HTR1AHTR2C
SCHEMBL29499599 0.80 GRIN2D (0.59) DRD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19998348 0.80 GRIN2D (0.59) DRD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3398170 0.79 GAA (0.55) DRD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1682870 0.78 GAA (0.57) DRD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4405017 0.78 THRB (0.65) DRD2DRD4DRD3HTR1ATHRB
SCHEMBL1840739 0.78 GRIN2D (0.44) DRD2OPRM1OPRK1GRIN2DGRIN3B
SCHEMBL15652381 0.77 JAK2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 DRD2 3054/4885SLC27A1 680/4885OPRM1 1971/4885

“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.