SCHEMBL2652115

SCHEMBL2652115

CC(=O)N1CCN(CCO[C]=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.51
PIK3CD O00329 1/20 0.46
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM1A O60341 2/20 0.39
SIGMAR1 Q99720 5/20 0.38
HSD11B1 P28845 1/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 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
SCHEMBL5539052 0.83 HRH2 (0.44) DRD3ALDH1A1HSD11B1USP2
SCHEMBL5539298 0.81 ALDH1A1 (0.49) CYP4F2CYP4A11ALDH1A1HRH3
SCHEMBL4550356 0.79 DRD3 (0.59) DRD3PIK3CDCYP1A2TDP1CYP4F2
SCHEMBL17740871 0.79 DRD3 (0.55) DRD3PIK3CDCYP1A2TDP1CYP4F2
SCHEMBL27610525 0.79 USP2 (0.45) ALDH1A1USP2
SCHEMBL5539898 0.79 ALDH1A1 (0.46) CYP4F2CYP4A11ALDH1A1HRH3SIGMAR1
SCHEMBL5946046 0.79 ALDH1A1 (0.37) DRD3ALDH1A1HRH3SIGMAR1THRB
SCHEMBL23823660 0.78 CYP1A2 (0.64) DRD3PIK3CDCYP1A2TDP1ALDH1A1
SCHEMBL23634797 0.78 DRD3 (0.54) DRD3PIK3CDCYP1A2TDP1CYP4F2
SCHEMBL14586768 0.78 DRD3 (0.54) DRD3PIK3CDCYP1A2TDP1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US claimed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US claimed
JP-2003502405-A 2003-01-21 JP claimed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP claimed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO claimed
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 DRD3 2337/4885PIK3CD 565/4885CYP1A2 101/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 DRD3 2085/4885PIK3CD 523/4885CYP1A2 119/4885

“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.