SCHEMBL6887789

SCHEMBL6887789

CN1CC2CN(c3ccc4ncn(C)c(=O)c4c3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
KCNH2 Q12809 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IP6K1 Q92551 3/20 0.46
IP6K3 Q96PC2 2/20 0.46
KDM4E B2RXH2 2/20 0.44
ACVR1 Q04771 2/20 0.43
SYK P43405 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
IP6K2 Q9UHH9 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL6886345 0.87 IP6K1 (0.47) CHRNA7L3MBTL1IP6K1IP6K3KDM4E
SCHEMBL11905138 0.87 KDM4E (0.46) L3MBTL1IP6K1IP6K3KDM4EACVR1
SCHEMBL6887415 0.81 KDM4E (0.43) L3MBTL1IP6K1IP6K3KDM4ESYK
SCHEMBL6888074 0.78 CHRNA7 (0.47) CHRNA7KCNH2IP6K1IP6K3CHRNB2
SCHEMBL6887341 0.76 CHRNA7 (0.50) CHRNA7KCNH2IP6K1IP6K3CHRNB2
SCHEMBL11922980 0.75 L3MBTL1 (0.47) L3MBTL1IP6K1KDM4EACVR1SYK
SCHEMBL16103946 0.75 L3MBTL1 (0.47) L3MBTL1IP6K1KDM4EACVR1SYK
SCHEMBL6889158 0.75 CHRNA7 (0.45) CHRNA7KCNH2IP6K1IP6K3KDM4E
SCHEMBL6887715 0.75 PARG (0.49) CHRNA7KCNH2IP6K1IP6K3CHRNB2
SCHEMBL6889162 0.74 CHRNA7 (0.49) CHRNA7KCNH2L3MBTL1KDM4ECHRNB2

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 728/4885L3MBTL1 4613/4885

“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.