SCHEMBL615989

SCHEMBL615989

O=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3ccsc3c-2nn1C1CCCOC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.40
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL3807036 0.86 CHRM1 (0.48) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL617769 0.86 FEN1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13153809 0.82 FEN1 (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL617404 0.82 CHRM1 (0.39) CHRM1HCRTR1HCRTR2PDE4APDE4B
SCHEMBL616912 0.80 FEN1 (0.35) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL617714 0.79 PDE1B (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13153318 0.77 CHRM1 (0.43) CHRM1HCRTR1HCRTR2
SCHEMBL7906425 0.76 PDE4A (0.42) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL7910180 0.75 PDE4A (0.44) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL14875395 0.74 CHRM1 (0.47) CHRM1HCRTR1HCRTR2PDE4APDE4B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP claimed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US claimed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US claimed
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
EP-2421366-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
WO-2010123716-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 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-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 CHRM1 1/4885HCRTR1 87/4885HCRTR2 83/4885

“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.