SCHEMBL2651904

SCHEMBL2651904

CCOC(=O)CC(c1cccc(Nc2ccc(C(=O)OCCOC)cc2N)c1)N1CC(C)NC(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.42
CDC25B P30305 6/20 0.39
ALOX15 P16050 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
GFER P55789 1/20 0.36
SCARB1 Q8WTV0 1/20 0.34
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
HTR2B P41595 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL2650607 0.93 PTGER4 (0.42) PTGER4CDC25BALOX15GAANPC1
SCHEMBL2651686 0.92 PTGER4 (0.41) PTGER4CDC25BALOX15GAANPC1
SCHEMBL5784169 0.88 PTGER4 (0.43) PTGER4CDC25BALOX15GAANPC1
SCHEMBL2651901 0.74 PTGER4 (0.43) PTGER4CDC25BALOX15GAANPC1
SCHEMBL5784157 0.73 PRMT1 (0.48) PTGER4CDC25BALOX15GAANPC1
SCHEMBL5781829 0.71 HDAC2 (0.39) PTGER4CDC25B
SCHEMBL2651684 0.71 PTGER4 (0.42) PTGER4CDC25BALOX15GAANPC1
SCHEMBL2651855 0.70 PRMT1 (0.49) PTGER4CDC25BALOX15GAANPC1
SCHEMBL2652095 0.69 HDAC3 (0.44) PTGER4CDC25BALOX15GAANPC1
SCHEMBL2651673 0.69 PTGER4 (0.45) PTGER4CDC25BGAANPC1GFER

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 3722/4885ALOX15 2648/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 PTGER4 469/4885CDC25B 3778/4885ALOX15 2351/4885

“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.