SCHEMBL6888922

SCHEMBL6888922

CCN1CCC(C#N)(c2ccc(C)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.41
OPRM1 P35372 3/20 0.41
SMO Q99835 1/20 0.39
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADRA1D P25100 2/20 0.34
PRKCA P17252 1/20 0.33
PTPN2 P17706 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL12918279 0.83 OPRM1 (0.40) ADRA1AOPRM1SMOALDH1A1HRH3
SCHEMBL18033990 0.81 OPRM1 (0.38) ADRA1AOPRM1SMOHRH3
SCHEMBL6888915 0.80 ADRA1A (0.41) ADRA1AOPRM1OPRD1PRKCAPTPN2
SCHEMBL6887265 0.79 ADRA1A (0.52) ADRA1AOPRM1OPRD1PRKCAPTPN2
SCHEMBL6891238 0.78 ALDH1A1 (0.39) OPRM1OPRD1ALDH1A1TP53HRH3
SCHEMBL16549510 0.78 ADRA1A (0.37) ADRA1AOPRM1OPRD1PRKCAPTPN2
SCHEMBL16549577 0.76 CYP2D6 (0.36) ADRA1AOPRM1OPRD1ALDH1A1PRKCA
SCHEMBL23778454 0.75 RAB9A (0.37) ADRA1AOPRM1SMOALDH1A1HRH3
SCHEMBL20074624 0.74 OPRM1 (0.34) ADRA1AOPRM1SMOALDH1A1HRH3
SCHEMBL16549639 0.72 OPRM1 (0.40) ADRA1AOPRM1OPRD1PRKCAPTPN2

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 ADRA1A 62/4885OPRM1 16/4885SMO 1476/4885

“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.