SCHEMBL6888447

SCHEMBL6888447

N#CC1(c2ccccc2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.77
▸ PTPN2 P17706 1/20 0.77
▸ HTR7 P34969 1/20 0.77
▸ KCNH2 Q12809 6/20 0.70
▸ OPRM1 P35372 2/20 0.50
▸ OPRL1 P41146 3/20 0.49
▸ OPRD1 P41143 1/20 0.44
▸ CHRM4 P08173 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 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
SCHEMBL3059138 0.92 PRKCA (0.69) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL3041934 0.91 PRKCA (0.73) PRKCAPTPN2HTR7KCNH2OPRM1
Msd-M1Pam SCHEMBL3051312 0.87 PRKCA (1.00) PRKCAPTPN2HTR7KCNH2OPRM1
Msd-M1Pam SCHEMBL29448803 0.87 PRKCA (1.00) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL3062540 0.84 PRKCA (0.81) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL3059235 0.84 PRKCA (0.76) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL6887961 0.84 PRKCA (0.71) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL3064416 0.83 PRKCA (0.76) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL3055001 0.82 PRKCA (0.72) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL30153039 0.81 KCNH2 (0.71) PRKCAPTPN2HTR7KCNH2

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
WO-2023114224-A1 COMBINATION OF MUSCARINIC RECEPTOR POSITIVE MODULATORS AND NMDA POSITIVE ALLOSTERIC MODULATORS SAGE THERAPEUTICS, INC. (US) 2023-06-22 — — WO 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
US-8258135-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-09-04 — — US disclosed
WO-2011062853-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-26 — — WO disclosed
US-20100222355-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2010-09-02 — — US 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-20100222355-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, OPRL1 PRKCA 1905/4885PTPN2 1207/4885HTR7 176/4885
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 PRKCA 1643/4885PTPN2 1706/4885HTR7 191/4885

“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.

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