SCHEMBL5778521

SCHEMBL5778521

CN1CCCC1COC(=O)c1cccc(Nc2ccc(-c3ccoc3)cc2N)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.57
CHRNA4 P43681 6/20 0.57
CHRNA7 P36544 4/20 0.50
CHRNA5 P30532 2/20 0.50
CHRM3 P20309 14/20 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
SCHEMBL2661538 0.87 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7CHRNA5CHRM3
SCHEMBL6280909 0.79 L3MBTL1 (0.40)
SCHEMBL27578439 0.78 CDC25B (0.42)
SCHEMBL2643778 0.75 GAA (0.54)
SCHEMBL27482947 0.75 GAA (0.47)
SCHEMBL2662734 0.75 HDAC2 (0.37)
SCHEMBL2652076 0.74 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL2653097 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNA5CHRM3
SCHEMBL2660166 0.73 ALDH1A1 (0.40)
SCHEMBL5780109 0.71 ALDH1A1 (0.51)

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 5 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

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 CHRNB2 961/4885CHRNA4 222/4885CHRNA7 260/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CHRNB2 880/4885CHRNA4 230/4885CHRNA7 284/4885

“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.