SCHEMBL2485404

SCHEMBL2485404

COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)ccc(F)c43)cc2)cc1

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.93
SMN1; SMN2 Q16637 1/20 0.52
TOP1 P11387 6/20 0.47
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16341817 0.97 CHRM1 (1.00) CHRM1SMN1; SMN2LMNA
SCHEMBL2486076 0.89 CHRM1 (1.00) CHRM1TOP1LMNA
SCHEMBL22416064 0.87 CHRM1 (0.83) CHRM1SMN1; SMN2LMNA
SCHEMBL16341848 0.86 CHRM1 (0.81) CHRM1SMN1; SMN2LMNA
SCHEMBL2487094 0.86 CHRM1 (0.80) CHRM1SMN1; SMN2TOP1LMNA
SCHEMBL2487847 0.86 CHRM1 (0.70) CHRM1SMN1; SMN2TOP1LMNA
SCHEMBL2485974 0.85 CHRM1 (0.82) CHRM1SMN1; SMN2TOP1LMNA
SCHEMBL2883197 0.85 CHRM1 (0.80) CHRM1SMN1; SMN2TOP1LMNAL3MBTL1
SCHEMBL16341842 0.84 CHRM1 (0.78) CHRM1SMN1; SMN2TOP1LMNA
SCHEMBL16341505 0.84 CHRM1 (0.78) CHRM1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US claimed
EP-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP claimed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US claimed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
EP-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 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-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators CHRM1, OPRL1, MTNR1A CHRM1 1/4885SMN1; SMN2 1681/4885TOP1 3853/4885

“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.