SCHEMBL615419

SCHEMBL615419

Cc1ccc(-c2ccc(Cn3nc4c(=O)n([C@@H]5CCCC[C@H]5O)nc-4c4cccnc43)cn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.41
KCNH2 Q12809 5/20 0.41
ALOX5 P09917 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.34
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
HSD11B1 P28845 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL615418 1.00 CHRM1 (0.41) CHRM1KCNH2ALOX5CYP2C9L3MBTL1
SCHEMBL10165009 1.00 CHRM1 (0.41) CHRM1KCNH2ALOX5CYP2C9L3MBTL1
SCHEMBL14875335 0.87 CHRM1 (0.40) CHRM1KCNH2ALOX5CYP2C9AURKA
SCHEMBL15107479 0.87 CHRM1 (0.40) CHRM1KCNH2ALOX5CYP2C9AURKA
SCHEMBL7909734 0.87 CHRM1 (0.40) CHRM1KCNH2ALOX5CYP2C9AURKA
SCHEMBL15108042 0.87 CHRM1 (0.40) CHRM1KCNH2ALOX5CYP2C9AURKA
SCHEMBL614950 0.83 EGFR (0.35) CHRM1L3MBTL1
SCHEMBL14884895 0.80 KCNH2 (0.44) CHRM1KCNH2ALOX5CYP2C9AURKA
SCHEMBL7909764 0.80 KCNH2 (0.44) CHRM1KCNH2ALOX5CYP2C9AURKA
SCHEMBL14875586 0.80 KCNH2 (0.44) CHRM1KCNH2ALOX5CYP2C9AURKA

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 7 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-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 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 (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 1/4885KCNH2 716/4885ALOX5 1854/4885

“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.