SCHEMBL6695929

SCHEMBL6695929

N#Cc1cccc(CN2CCN(c3nc[c]cc3C(N)=O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.49
JAK3 P52333 2/20 0.49
FAAH O00519 1/20 0.48
JAK1 P23458 3/20 0.47
GPR6 P46095 4/20 0.47
ADRA1D P25100 1/20 0.45
CXCR3 P49682 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
TYK2 P29597 1/20 0.40
CHRM4 P08173 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CHRM3 P20309 1/20 0.39
CCR3 P51677 1/20 0.39

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 0.85 AURKA (0.45) ADRA1DHTR1A
SCHEMBL6699529 0.77 TBK1 (0.44)
SCHEMBL6712880 0.77 FAAH (0.47) JAK2JAK3FAAHJAK1GPR6
SCHEMBL6865185 0.77 FAAH (0.60) JAK2JAK3FAAHJAK1GPR6
SCHEMBL16932389 0.76 FAAH (0.52) JAK2JAK3FAAHJAK1GPR6
SCHEMBL7239878 0.76 FAAH (0.49) JAK2JAK3FAAHJAK1GPR6
SCHEMBL27760391 0.76 OPRM1 (0.58) JAK2JAK3FAAHGPR6CXCR3
SCHEMBL6698553 0.76 FAAH (0.54) FAAHDRD2CHRM4CHRM3
SCHEMBL6694937 0.76 ITGB3 (0.56) FAAHCHRM4CHRM3
SCHEMBL6702960 0.75 MAPK8 (0.48) JAK2JAK1

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 JAK2 3843/4885JAK3 4247/4885FAAH 132/4885

“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.