SCHEMBL6889170

SCHEMBL6889170

CN1CC2CN(c3ccc4nc(-c5cccc(Cl)c5)n(C)c(=O)c4c3)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
AVPR1A P37288 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAOB P27338 1/20 0.43
CHRNA7 P36544 2/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
PARG Q86W56 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6889162 0.89 CHRNA7 (0.49) KDM4ELMNAHTTCHRNA7KCNH2
SCHEMBL6888629 0.85 HRH3 (0.44) MEN1KMT2ALMNACHRNA7KCNH2
SCHEMBL6888082 0.83 ADRA2A (0.45) MEN1AVPR1AKMT2AKDM4ELMNA
SCHEMBL16103929 0.81 AVPR1A (0.45) MEN1AVPR1AKMT2AKDM4ELMNA
SCHEMBL11922355 0.81 AVPR1A (0.45) MEN1AVPR1AKMT2AKDM4ELMNA
SCHEMBL6888074 0.80 CHRNA7 (0.47) CHRNA7KCNH2CHRNB2CHRNA4IDO1
SCHEMBL6889809 0.79 AVPR1A (0.44) MEN1AVPR1AKMT2AKDM4ELMNA
SCHEMBL6888890 0.78 TDO2 (0.48) CHRNA7KCNH2CHRNB2CHRNA4IDO1
SCHEMBL6888094 0.77 KDM4E (0.44) MEN1AVPR1AKMT2AKDM4ELMNA
SCHEMBL6887888 0.77 MEN1 (0.57) MEN1AVPR1AKMT2AKDM4ELMNA

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 MEN1 3191/4885AVPR1A 125/4885KMT2A 1947/4885

“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.