SCHEMBL6889811

SCHEMBL6889811

Cc1nc2cc(N3CCN4CCC3CC4)ccc2c(=O)n1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.52
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 5/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
CHRNA1 P02708 3/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
HTR3A P46098 2/20 0.38

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
SCHEMBL6886460 0.91 CHRNA7 (0.52) CHRNA7KCNH2HRH3GAAALOX15
SCHEMBL6886714 0.86 CHRNA7 (0.47) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL6888264 0.85 CHRNA7 (0.46) CHRNA7KCNH2HRH3CHRNA1CHRNB2
SCHEMBL6886323 0.83 CHRNA7 (0.45) CHRNA7KCNH2HRH3CHRNA1CHRNB2
SCHEMBL6890582 0.81 KDM4E (0.44) CHRNA7KCNH2HRH3ALOX15
SCHEMBL11905558 0.81 CHRNA7 (0.43) CHRNA7KCNH2HRH3CHRNA1CHRNB2
SCHEMBL6887381 0.80 CHRNA7 (0.50) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL6887956 0.79 CHRNA7 (0.41) CHRNA7KCNH2HRH3
SCHEMBL6887461 0.77 CHRNA7 (0.48) CHRNA7KCNH2HRH3CHRNA1CHRNB2
SCHEMBL6888328 0.77 PARG (0.47) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4

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 728/4885HRH3 159/4885

“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.