SCHEMBL2651949

SCHEMBL2651949

COCCN1CCN(c2cccc(N)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.61
KCNH2 Q12809 5/20 0.55
DRD2 P14416 3/20 0.55
HTR1A P08908 2/20 0.49
ADORA2B P29275 2/20 0.47
HTR4 Q13639 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4702064 0.85 ADRA2C (0.58) ADRA2CKCNH2DRD2HTR1A
SCHEMBL6151540 0.83 MAPT (0.62) ADRA2CDRD2HTR1AADORA2BHTR4
SCHEMBL1812286 0.83 MAPT (0.62) ADRA2CDRD2HTR1AADORA2BHTR4
SCHEMBL27468384 0.82 ADRA2C (0.54) ADRA2CKCNH2DRD2HTR1AADORA2B
SCHEMBL8348977 0.82 DRD2 (0.52) KCNH2DRD2HTR1AMAPTTSHR
SCHEMBL12287089 0.82 GAA (0.50) KCNH2DRD2HTR1AADORA2BHTR4
SCHEMBL16358911 0.81 SIGMAR1 (0.49) HTR4ALDH1A1MAPTTSHR
SCHEMBL4577257 0.80 DRD2 (0.50) KCNH2DRD2HTR1AALDH1A1MAPT
SCHEMBL28651152 0.80 DRD2 (0.66) ADRA2CKCNH2DRD2CYP2D6
SCHEMBL30774338 0.80 ADRA2C (0.51) ADRA2CKCNH2DRD2HTR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP disclosed
US-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUSEARCH A/S (DK) 2006-10-26 US disclosed
EP-1615896-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2006-01-18 EP disclosed
WO-2004089912-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2004-10-21 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-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA2, GABRA1, GABRA5 ADRA2C 30/4885KCNH2 330/4885DRD2 1558/4885

“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.