SCHEMBL2653097

SCHEMBL2653097

CN1CCCC1COC(=O)c1cccc(N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 1.00
CHRNA4 P43681 10/20 1.00
CHRNA7 P36544 7/20 0.73
CHRNA5 P30532 3/20 0.73
CHRM3 P20309 8/20 0.61
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB3 Q05901 1/20 0.50

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
SCHEMBL5784960 0.81 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL13090359 0.78 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL13090370 0.78 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL14574165 0.77 CHRNB2 (0.63) CHRNB2CHRNA4CHRNA7CHRNA5CHRM3
SCHEMBL521397 0.77 CHRNB4 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL11125106 0.77 CHRNB2 (0.62) CHRNB2CHRNA4
SCHEMBL17856369 0.77 CHRM3 (1.00) CHRM3
SCHEMBL8803953 0.74 HTR4 (0.60) CHRNB2CHRNA4CHRNA7CHRNA5CHRM3
SCHEMBL6252963 0.73 CHRNB2 (0.58) CHRNB2CHRNA4CHRM3CHRNB4CHRNA3
SCHEMBL6252580 0.73 CHRNB2 (0.58) CHRNB2CHRNA4CHRM3CHRNB4CHRNA3

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 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.