SCHEMBL6888264

SCHEMBL6888264

CCc1nc2cc(N3CCN4CCC3CC4)ccc2c(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.46
KCNH2 Q12809 3/20 0.38
HTR3A P46098 4/20 0.38
HRH3 Q9Y5N1 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
CHRNA1 P02708 3/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6887861 0.91 CHRNA7 (0.46) CHRNA7KCNH2HTR3AHRH3HDAC6
SCHEMBL6889811 0.85 CHRNA7 (0.52) CHRNA7KCNH2HTR3AHRH3CHRNA1
SCHEMBL6886714 0.83 CHRNA7 (0.47) CHRNA7KCNH2HTR3ACHRNA1CHRNB2
SCHEMBL6888096 0.80 CHRNA7 (0.44) CHRNA7KCNH2HTR3AHDAC6CHRNA1
SCHEMBL6888244 0.79 AADAT (0.35) CHRNA7KCNH2HTR3AAADAT
SCHEMBL6886323 0.78 CHRNA7 (0.45) CHRNA7KCNH2HTR3AHRH3AADAT
SCHEMBL6889309 0.78 CHRNA7 (0.44) CHRNA7KCNH2HTR3AHRH3CHRNA1
SCHEMBL6887381 0.77 CHRNA7 (0.50) CHRNA7KCNH2HTR3ACHRNA1CHRNB2
SCHEMBL6887450 0.77 CHRNA7 (0.43) CHRNA7KCNH2HTR3AHDAC6CHRNA1
SCHEMBL11905558 0.77 CHRNA7 (0.43) CHRNA7KCNH2HTR3AHRH3CHRNA1

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-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 CHRNA7 3/4885KCNH2 728/4885HTR3A 88/4885

“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.