SCHEMBL6701672

SCHEMBL6701672

NC(=O)c1c[c]cnc1N1CCN(Cc2ccc[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
PARP2 Q9UGN5 1/20 0.43
PARP1 P09874 2/20 0.43
CXCR3 P49682 1/20 0.36
HTR1A P08908 7/20 0.34
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
SCD O00767 1/20 0.31

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
SCHEMBL6694725 0.82 AURKA (0.45) DRD4HTR1AAURKAKDRAURKB
SCHEMBL6702960 0.78 MAPK8 (0.48) PARP2PARP1JAK1JAK2
SCHEMBL6694944 0.76 DRD2 (0.57) DRD2DRD4DRD3PARP2PARP1
SCHEMBL6695929 0.75 JAK2 (0.49) DRD2CXCR3HTR1AJAK1JAK2
SCHEMBL6700023 0.73 CHRNB2 (0.37) PARP1
SCHEMBL6701277 0.72 DRD2 (0.66) DRD2DRD4DRD3PARP2PARP1
SCHEMBL3968181 0.69 DRD2 (0.73) DRD2DRD4DRD3PARP2PARP1
SCHEMBL27563358 0.69
SCHEMBL6699529 0.69 TBK1 (0.44) PARP1
SCHEMBL27455010 0.67 DRD4 (0.75) DRD2DRD4DRD3HTR1A

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 4 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

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 3054/4885DRD4 3005/4885DRD3 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.