SCHEMBL2877658

SCHEMBL2877658

O=C(O)c1cn(Cc2cccc(OC(F)(F)F)c2)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.62
RORC P51449 1/20 0.47
SERPINE1 P05121 4/20 0.46
FEN1 P39748 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CHRM5 P08912 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
LMNA P02545 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL3235459 0.89 CHRM1 (0.62) CHRM1RORCSERPINE1FEN1LMNA
SCHEMBL2883219 0.87 CHRM1 (0.76) CHRM1LMNA
SCHEMBL2877769 0.87 CHRM1 (0.76) CHRM1SERPINE1FEN1CHRM5LMNA
SCHEMBL3237947 0.87 CHRM1 (0.46) CHRM1RORCSERPINE1FEN1CHRM5
SCHEMBL2877150 0.85 CHRM1 (0.64) CHRM1KDM4CLMNA
SCHEMBL2877481 0.83 CHRM1 (0.86) CHRM1LMNA
SCHEMBL2877807 0.81 CHRM1 (0.74) CHRM1LMNA
SCHEMBL2882158 0.80 CHRM1 (0.68) CHRM1LMNA
SCHEMBL2881808 0.79 CHRM1 (0.70) CHRM1LMNA
SCHEMBL2881818 0.78 CHRM1 (0.73) CHRM1LMNA

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-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US claimed
US-20100317692-A1 Quinolone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2010-12-16 US claimed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 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-20100317692-A1 Quinolone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, MTNR1A CHRM1 1/4885RORC 257/4885SERPINE1 4832/4885

“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.