SCHEMBL6886624

SCHEMBL6886624

CC(C)CNC(=O)c1cc(N2CCN3CCC2CC3)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CHRNA7 P36544 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
CHRNA1 P02708 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
HTR3A P46098 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL6887526 0.88 KCNH2 (0.40) KCNH2CHRNA7CHRNA1CHRNB2CHRNB4
SCHEMBL1670851 0.86 KCNH2 (0.38) KCNH2CHRNA7CHRNA1CHRNB2CHRNB4
SCHEMBL6889229 0.85 POLB (0.47) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL1668496 0.85 CCR2 (0.39) KCNH2
SCHEMBL11905011 0.85 KCNH2 (0.40) KDM4EKCNH2CHRNA7TP53CHRNA1
SCHEMBL1667724 0.84 USP5 (0.41) KCNH2CHRNA7CHRNA1CHRNB2CHRNB4
SCHEMBL6888392 0.84 KCNH2 (0.39) KCNH2CHRNA7CHRNA1CHRNB2CHRNB4
SCHEMBL6888796 0.84 KCNH2 (0.42) KCNH2CHRNA7CHRNA1CHRNB2CHRNB4
SCHEMBL11904919 0.84 ALOX15 (0.39) KCNH2GAA
SCHEMBL1670345 0.84 CCR2 (0.39) KCNH2CHRNA7

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 MAPT 157/4885KDM4E 2824/4885KCNH2 728/4885

“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.