SCHEMBL6889586

SCHEMBL6889586

CCN1CCN(c2ccc(C#N)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
RAD52 P43351 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GFER P55789 1/20 0.49
CHEK1 O14757 3/20 0.47
CHRNA7 P36544 1/20 0.47
AR P10275 1/20 0.45
AOC3 Q16853 2/20 0.44
TNK2 Q07912 3/20 0.43
PARP1 P09874 2/20 0.43
TNK1 Q13470 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL29612110 0.83 CHEK1 (0.51) KDM4EMAPTGAAGFERCHEK1
SCHEMBL151032 0.83 CHEK1 (0.51) KDM4EMAPTGAAGFERCHEK1
SCHEMBL151047 0.80 MAPT (0.46) MAPTSMN1; SMN2ARAOC3TNK2
SCHEMBL27909230 0.80 CHRNB2 (0.44) KDM4EMAPTSMN1; SMN2CHEK1AR
SCHEMBL151160 0.79 MAPT (0.49) KDM4EMAPTGAASMN1; SMN2AOC3
SCHEMBL148390 0.79 MAPT (0.49) KDM4EMAPTGAASMN1; SMN2AOC3
SCHEMBL18641228 0.79 AR (0.43) KDM4EMAPTSMN1; SMN2CHEK1AR
SCHEMBL30270074 0.78 CHRNB2 (0.41) KDM4EMAPTSMN1; SMN2CHEK1AR
SCHEMBL20644559 0.78 CHRNB2 (0.41) KDM4EMAPTSMN1; SMN2CHEK1AR
SCHEMBL22495364 0.78 MAPT (0.47) KDM4EMAPTGAARAD52SMN1; SMN2

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-2501231-B1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-21 EP disclosed
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
WO-2011062853-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-26 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-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 KDM4E 1257/4885MAPT 656/4885GAA 1851/4885

“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.