SCHEMBL2486353

SCHEMBL2486353

O=C(O)c1cn(Cc2ccc(-c3ccnc(F)c3)cc2F)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.57
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMO O15229 1/20 0.34
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
CAPN1 P07384 1/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL2487845 0.88 CHRM1 (0.57) CHRM1ALDH1A1HTT
SCHEMBL2486081 0.86 CHRM1 (0.76) CHRM1ALDH1A1HTT
SCHEMBL2488348 0.85 CHRM1 (0.40) CHRM1KMOCAPN1
SCHEMBL2486292 0.85 CHRM1 (0.58) CHRM1ALDH1A1HTTTOP2ATOP2B
SCHEMBL2487906 0.84 CHRM1 (0.60) CHRM1ALDH1A1KMOTOP2ATOP2B
SCHEMBL14308113 0.84 CHRM1 (0.56) CHRM1ALDH1A1HTT
SCHEMBL2488265 0.84 CHRM1 (0.58) CHRM1ALDH1A1HTT
SCHEMBL2488023 0.83 CHRM1 (0.54) CHRM1RXFP1
SCHEMBL2487841 0.82 CHRM1 (0.55) CHRM1ALDH1A1HTTTOP2ATOP2B
SCHEMBL2488562 0.82 CHRM1 (0.56) CHRM1

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
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

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 1/4885ALDH1A1 2914/4885HTT 639/4885

“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.