SCHEMBL2884792

SCHEMBL2884792

O=C(O)c1cn(Cc2ccccc2C(F)(F)F)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.64
RORC P51449 2/20 0.46
FABP4 P15090 2/20 0.44
FABP3 P05413 1/20 0.44
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM5 P08912 1/20 0.38
LMNA P02545 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL3234278 0.85 CHRM1 (0.64) CHRM1RORCFABP4FABP3ATM
SCHEMBL3237295 0.85 CHRM1 (0.47) CHRM1KDM4ETDP1ALDH1A1
SCHEMBL14747225 0.84 CHRM1 (0.66) CHRM1ALDH1A1LMNA
SCHEMBL3238772 0.84 CHRM1 (0.44) CHRM1RORCFABP4FABP3KDM4E
SCHEMBL2877226 0.82 CHRM1 (0.57) CHRM1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2877481 0.82 CHRM1 (0.86) CHRM1NPSR1LMNA
SCHEMBL2880298 0.81 CHRM1 (0.62) CHRM1RORCKDM4EALDH1A1NPSR1
SCHEMBL2881818 0.79 CHRM1 (0.73) CHRM1FABP4KDM4EALDH1A1LMNA
SCHEMBL2486081 0.79 CHRM1 (0.76) CHRM1ALDH1A1CHRM5
SCHEMBL2883187 0.78 CHRM1 (0.56) CHRM1RORCALDH1A1

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 10 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
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-2007100366-A2 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-09-07 WO disclosed
WO-2007100366-A2 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-09-07 WO 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 257/4885FABP4 3265/4885

“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.