SCHEMBL6887381

SCHEMBL6887381

Cn1cnc2cc(N3CCN4CCC3CC4)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.50
KCNH2 Q12809 1/20 0.41
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
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
NTRK2 Q16620 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SYK P43405 2/20 0.37
ACVR1 Q04771 1/20 0.36

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
SCHEMBL6886458 0.90 CHRNA7 (0.50) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL11905220 0.84 L3MBTL1 (0.44) CHRNA7KCNH2L3MBTL1SYKACVR1
SCHEMBL11905224 0.84 L3MBTL1 (0.44) CHRNA7KCNH2L3MBTL1SYKACVR1
SCHEMBL11905640 0.84 L3MBTL1 (0.44) CHRNA7KCNH2L3MBTL1SYKACVR1
SCHEMBL11905218 0.84 L3MBTL1 (0.44) CHRNA7KCNH2L3MBTL1SYKACVR1
SCHEMBL1672235 0.84 CHRNA7 (0.45) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL6889811 0.80 CHRNA7 (0.52) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL6888107 0.78 L3MBTL1 (0.37) CHRNA7KCNH2L3MBTL1SYKACVR1
SCHEMBL6886714 0.78 CHRNA7 (0.47) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL6888264 0.77 CHRNA7 (0.46) 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 9 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-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US 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
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 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 728/4885CHRNA1 6/4885

“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.