SCHEMBL2653364

SCHEMBL2653364

COCCOC(=O)c1ccc(Nc2cccc(N3CCN(CCOCc4ccccc4)CC3)c2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
HTR4 Q13639 5/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
GLS O94925 1/20 0.42
NPC1 O15118 1/20 0.42
PRMT1 Q99873 1/20 0.42
ADORA2B P29275 2/20 0.41
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
ADRA1A P35348 1/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
LRRK2 Q5S007 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
DRD4 P21917 4/20 0.41
KIT P10721 1/20 0.40
FLT3 P36888 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
SCHEMBL2650866 0.90 PRMT1 (0.53) GLSNPC1PRMT1DRD2DRD3
SCHEMBL4698910 0.87 HTR4 (0.46) HTR7HTR4NPC1ADORA2BDRD2
SCHEMBL2662153 0.86 GAA (0.44) HTR7HTR4NPC1PRMT1ADORA2B
SCHEMBL2651673 0.86 PTGER4 (0.45) HTR7HTR4NPC1PRMT1ADORA2B
SCHEMBL2652470 0.86 HTR1D (0.45) HTR7HTR4NPC1ADORA2BFLT3
SCHEMBL2650857 0.84 TSHR (0.43) HTR7HTR4NPC1ADORA2BDRD2
SCHEMBL2651242 0.84 TSHR (0.43) HTR7HTR4NPC1PRMT1ADORA2B
SCHEMBL2661919 0.83 NPC1 (0.41) HTR7HTR4NPC1PRMT1ADORA2B
SCHEMBL2651430 0.83 PTGER4 (0.43) HTR7HTR4NPC1PRMT1ADORA2B
SCHEMBL2653592 0.83 MAPT (0.43) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (2 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HTR7 2186/4885HTR4 1491/4885TMEM97 1207/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HTR7 2008/4885HTR4 1272/4885TMEM97 1100/4885

“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.