SCHEMBL2654845

SCHEMBL2654845

[CH2]CCCN(C)CCC#N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.34
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1219354 0.86
SCHEMBL16892353 0.85 CHRM2 (0.42) ALDH1A1HPGDLCKTSHRCHRM2
SCHEMBL9797780 0.83 TSHR (0.43) ALDH1A1HPGDLCKTSHRCHRM2
SCHEMBL6608458 0.83 ALDH1A1 (0.44) ALDH1A1HPGDLCKTSHRTDP1
SCHEMBL7782415 0.80 ALDH1A1 (0.42) ALDH1A1HPGDLCKTSHRTDP1
SCHEMBL11501695 0.80 CHRM2 (0.43) ALDH1A1TSHRCHRM2
SCHEMBL13609722 0.79 TSHR (0.52) ALDH1A1HPGDLCKTSHR
SCHEMBL16639235 0.79 LCK (0.40) ALDH1A1HPGDLCKTSHRCHRM2
SCHEMBL1219362 0.78
SCHEMBL18281275 0.78 TSHR (0.48) ALDH1A1HPGDLCKTSHRCHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 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 (1 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 ALDH1A1 541/4885HPGD 2676/4885LCK 3377/4885

“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.