SCHEMBL2651579

SCHEMBL2651579

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.42
MAPK14 Q16539 1/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
PTK2 Q05397 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGER4 P35408 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
ADORA2A P29274 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
SCHEMBL5781329 0.90 NPC1 (0.52) GPR119SMN1; SMN2MAPTLMNANPC1
SCHEMBL2653592 0.89 MAPT (0.43) SMN1; SMN2MAPTNPC1ALDH1A1MAPK1
SCHEMBL6278703 0.89 NPC1 (0.41) MAPTLMNANPC1MEN1KMT2A
SCHEMBL5783408 0.87 BCL2 (0.48) GPR119SMN1; SMN2MAPTLMNAJAK2
SCHEMBL2652470 0.87 HTR1D (0.45) MAPTNPC1PTK2ALDH1A1MAPK1
SCHEMBL5783414 0.86 PTGER4 (0.38) GPR119MAPTNPC1MAPK14ALDH1A1
SCHEMBL2651673 0.85 PTGER4 (0.45) MAPTLMNANPC1ALDH1A1MAPK1
SCHEMBL2650857 0.84 TSHR (0.43) MAPTLMNANPC1JAK2JAK3
SCHEMBL2662153 0.84 GAA (0.44) MAPTLMNANPC1MEN1KMT2A
SCHEMBL2651242 0.84 TSHR (0.43) MAPTLMNANPC1MEN1KMT2A

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-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 GPR119 424/4885SMN1; SMN2 759/4885MAPT 906/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 GPR119 385/4885SMN1; SMN2 729/4885MAPT 981/4885

“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.