SCHEMBL2651901

SCHEMBL2651901

CCOC(=O)CN1C(C)CN(Cc2cccc(Nc3ccc(C(=O)OCCOC)cc3N)c2)CC1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.43
CDC25B P30305 5/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRMT1 Q99873 1/20 0.39
ALOX15 P16050 1/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
GFER P55789 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD11B1 P28845 1/20 0.35
ACKR3 P25106 1/20 0.35
MAPK1 P28482 1/20 0.35
ERAP2 Q6P179 1/20 0.35
LNPEP Q9UIQ6 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
SCHEMBL2650605 0.93 PTGER4 (0.41) PTGER4CDC25BHDAC1HDAC6PRMT1
SCHEMBL2651684 0.91 PTGER4 (0.42) PTGER4CDC25BHDAC1HDAC6PRMT1
SCHEMBL5784157 0.88 PRMT1 (0.48) PTGER4CDC25BPRMT1ALOX15GAA
SCHEMBL2651855 0.82 PRMT1 (0.49) PTGER4CDC25BPRMT1ALOX15GAA
SCHEMBL5784163 0.76 PRMT1 (0.42) PTGER4CDC25BPRMT1ALOX15GAA
SCHEMBL2652323 0.76 MAPT (0.49) PTGER4NPC1LMNAMAPT
SCHEMBL2662352 0.76 MAPT (0.47) PTGER4NPC1LMNAMAPT
SCHEMBL2650866 0.74 PRMT1 (0.53) HDAC1HDAC6PRMT1GAANPC1
SCHEMBL2651904 0.74 PTGER4 (0.42) PTGER4CDC25BALOX15GAANPC1
SCHEMBL2653209 0.73 MAPT (0.42) PTGER4CDC25BPRMT1GAANPC1

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 548/4885CDC25B 3722/4885HDAC1 905/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 PTGER4 469/4885CDC25B 3778/4885HDAC1 747/4885

“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.