SCHEMBL6888086

SCHEMBL6888086

CCN1CCN(c2ccc3cc(Cl)ncc3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
HRH4 Q9H3N8 4/20 0.47
HTR3A P46098 2/20 0.47
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
SORD Q00796 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 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
SCHEMBL6887757 0.84 HRH3 (0.58) HRH3HRH4HTR3AHTTNPC1
SCHEMBL29292569 0.81 CYP1A2 (0.47) HRH3HRH4HTR3AKDM4EGAA
SCHEMBL21154005 0.79 CNR2 (0.48) HRH4HTR3ANPC1RAB9AKDM4E
SCHEMBL30818866 0.75 HTT (0.49) HRH3HTTNPC1RAB9AKDM4E
SCHEMBL5909974 0.75 HRH3 (0.65) HRH3HRH4HTR3AKDM4EGAA
SCHEMBL3970431 0.74 HRH3 (1.00) HRH3HRH4HTR3AHTTNPC1
SCHEMBL6888105 0.74 HRH3 (0.46) HRH3HTR3ANPC1RAB9AKDM4E
SCHEMBL25258149 0.73 MAP4K4 (0.58) MAPT
SCHEMBL4215600 0.73 HRH3 (0.67) HRH3HRH4HTR3AHTTKDM4E
SCHEMBL23205710 0.73 HRH3 (0.62) HRH3HRH4HTR3ARAB9AKDM4E

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 HRH3 112/4885HRH4 94/4885HTR3A 114/4885

“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.