SCHEMBL2651684

SCHEMBL2651684

CCN1C(C)CN(Cc2cccc(Nc3ccc(C(=O)OCCOC)cc3N)c2)CC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 3/20 0.40
NPC1 O15118 1/20 0.40
GFER P55789 1/20 0.40
CDC25B P30305 5/20 0.38
PRMT1 Q99873 1/20 0.38
ALOX15 P16050 1/20 0.37
ACKR3 P25106 1/20 0.37
ERAP2 Q6P179 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
HTR2B P41595 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDC25A P30304 1/20 0.35

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
SCHEMBL2651901 0.91 PTGER4 (0.43) PTGER4HDAC1HDAC6GAANPC1
SCHEMBL2650605 0.83 PTGER4 (0.41) PTGER4HDAC1HDAC6GAANPC1
SCHEMBL2651855 0.82 PRMT1 (0.49) PTGER4GAANPC1GFERCDC25B
SCHEMBL5784157 0.82 PRMT1 (0.48) PTGER4GAANPC1GFERCDC25B
SCHEMBL5784163 0.78 PRMT1 (0.42) PTGER4GAANPC1GFERCDC25B
SCHEMBL2650866 0.77 PRMT1 (0.53) HDAC1HDAC6GAANPC1GFER
SCHEMBL2651673 0.77 PTGER4 (0.45) PTGER4GAANPC1GFERCDC25B
SCHEMBL2650859 0.74 GFER (0.43) PTGER4GAANPC1GFERALOX15
SCHEMBL2651430 0.74 PTGER4 (0.43) PTGER4GAANPC1GFERCDC25B
SCHEMBL2651686 0.74 PTGER4 (0.41) PTGER4GAANPC1GFERCDC25B

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 548/4885HDAC1 905/4885HDAC6 327/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 PTGER4 469/4885HDAC1 747/4885HDAC6 305/4885

“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.