SCHEMBL6712880

SCHEMBL6712880

N#Cc1cccc(CN2CCN(c3nc[c]c(C(N)=O)n3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
JAK2 O60674 3/20 0.44
GPR6 P46095 2/20 0.44
JAK3 P52333 1/20 0.44
JAK1 P23458 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
CHRM4 P08173 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL6709357 0.84 GAA (0.49) CHRM4
SCHEMBL2744423 0.83 FAAH (0.48) FAAHJAK2GPR6JAK3JAK1
SCHEMBL16932389 0.77 FAAH (0.52) FAAHJAK2GPR6JAK3JAK1
SCHEMBL6695929 0.77 JAK2 (0.49) FAAHJAK2GPR6JAK3JAK1
SCHEMBL27760391 0.75 OPRM1 (0.58) FAAHJAK2GPR6JAK3CHRM4
SCHEMBL7239878 0.75 FAAH (0.49) FAAHJAK2GPR6JAK3JAK1
SCHEMBL6698553 0.75 FAAH (0.54) FAAHDRD2DRD3CHRM4CHRM3
SCHEMBL6694937 0.75 ITGB3 (0.56) FAAHCHRM4CHRM3
SCHEMBL6712881 0.74 ALDH1A1 (0.50) FAAHDRD2DRD3CHRM2CHRM1
Hydrochloric Acid SCHEMBL6700195 0.74 ITGB3 (0.55) FAAHCHRM4CHRM3

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 FAAH 132/4885JAK2 3843/4885GPR6 3662/4885

“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.