SCHEMBL6887341

SCHEMBL6887341

CN1CC2CN(c3ccc4ccn(C)c(=O)c4c3)CC2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.50
KCNH2 Q12809 1/20 0.50
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
SOS1 Q07889 1/20 0.33

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
SCHEMBL6886340 0.86 BPTF (0.42) CHRNA7KCNH2CHRNB2CHRNA4IP6K1
SCHEMBL11905507 0.86 CHRNA7 (0.38) CHRNA7KCNH2
SCHEMBL6887789 0.76 CHRNA7 (0.48) CHRNA7KCNH2CHRNB2CHRNA4IP6K1
SCHEMBL6888074 0.72 CHRNA7 (0.47) CHRNA7KCNH2CHRNB2CHRNA4IP6K1
SCHEMBL22721111 0.71 HTR3A (0.62) CHRNA7KCNH2CHRNB2CHRNA4
SCHEMBL1794604 0.70 CHRNA7 (0.70) CHRNA7KCNH2CHRNB2CHRNA4
SCHEMBL6887715 0.69 PARG (0.49) CHRNA7KCNH2CHRNB2CHRNA4IP6K1
SCHEMBL6889158 0.69 CHRNA7 (0.45) CHRNA7KCNH2CHRNB2CHRNA4IP6K1
SCHEMBL1670269 0.69 CHRNA7 (0.46) CHRNA7KCNH2CHRNB2CHRNA4
SCHEMBL22721137 0.69 HRH3 (0.50) CHRNA7KCNH2CHRNB2CHRNA4

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 6 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
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
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 728/4885CHRNB2 15/4885

“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.