SCHEMBL2651430

SCHEMBL2651430

CCN1CCCN(c2cccc(Nc3ccc(C(=O)OCCOC)cc3N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.43
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 6/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
FGFR3 P22607 1/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CDC25B P30305 2/20 0.39
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
ADORA2B P29275 2/20 0.39
HTR4 Q13639 2/20 0.39
PRMT1 Q99873 1/20 0.39
HTR7 P34969 1/20 0.38

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
SCHEMBL2651673 0.97 PTGER4 (0.45) PTGER4NPC1GAAGFERMAPT
SCHEMBL2651962 0.91 NPC1 (0.49) NPC1GAAGFERMAPTTSHR
SCHEMBL2650857 0.88 TSHR (0.43) PTGER4NPC1GAAGFERMAPT
SCHEMBL2651242 0.88 TSHR (0.43) PTGER4NPC1GAAGFERMAPT
SCHEMBL2662153 0.88 GAA (0.44) PTGER4NPC1GAAGFERMAPT
SCHEMBL2652470 0.88 HTR1D (0.45) PTGER4NPC1GAAGFERMAPT
SCHEMBL2662508 0.87 MAPT (0.46) PTGER4NPC1MAPTLMNAMAPK1
SCHEMBL2653209 0.87 MAPT (0.42) PTGER4NPC1GAAGFERMAPT
SCHEMBL2661919 0.86 NPC1 (0.41) PTGER4NPC1GAAGFERMAPT
SCHEMBL2650866 0.86 PRMT1 (0.53) NPC1GAAGFERMAPTTSHR

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 PTGER4 548/4885NPC1 3894/4885GAA 2408/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 PTGER4 469/4885NPC1 3859/4885GAA 2528/4885

“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.