SCHEMBL6887265

SCHEMBL6887265

CCN1CCC(C#N)(c2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.52
PRKCA P17252 1/20 0.49
PTPN2 P17706 1/20 0.49
HTR7 P34969 1/20 0.49
OPRM1 P35372 2/20 0.43
CCR1 P32246 1/20 0.43
OPRD1 P41143 1/20 0.43
CHRM1 P11229 1/20 0.42
KCNH2 Q12809 1/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
SPR P35270 1/20 0.39
HSD11B1 P28845 1/20 0.39
OPRL1 P41146 1/20 0.38

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
SCHEMBL16549656 0.89 ADRA1A (0.55) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL16546658 0.85 ADRA1A (0.49) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL3323620 0.84 OPRM1 (0.50) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL8004598 0.83 ADRA1A (0.53) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL6198717 0.83 OPRM1 (0.66) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL3558640 0.82 KDM4E (0.50) ADRA1APRKCAPTPN2HTR7
SCHEMBL16549639 0.82 OPRM1 (0.40) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL16549510 0.82 ADRA1A (0.37) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL7930702 0.81 ADRA1A (0.56) ADRA1APRKCAPTPN2HTR7OPRM1
SCHEMBL7157630 0.81 HSD11B1 (0.43) ADRA1APRKCAPTPN2HTR7OPRM1

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 8 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-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US 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 (2 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-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 ADRA1A 109/4885PRKCA 2543/4885PTPN2 2392/4885
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 ADRA1A 62/4885PRKCA 1643/4885PTPN2 1706/4885

“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.