SCHEMBL2877150

SCHEMBL2877150

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.64
FABP4 P15090 2/20 0.47
ATM Q13315 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CMA1 P23946 1/20 0.44
ICMT O60725 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
NR4A2 P43354 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3234275 0.87 CHRM1 (0.66) CHRM1FABP4ATMALDH1A1KDM4E
SCHEMBL2881818 0.86 CHRM1 (0.73) CHRM1FABP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2877658 0.85 CHRM1 (0.62) CHRM1LMNAKDM4C
SCHEMBL2877481 0.85 CHRM1 (0.86) CHRM1MAPTLMNA
SCHEMBL2877226 0.84 CHRM1 (0.57) CHRM1ALDH1A1KDM4EKMT2A
SCHEMBL3242155 0.84 CHRM1 (0.45) CHRM1FABP4ATMALDH1A1KDM4E
SCHEMBL2490851 0.83 CHRM1 (0.79) CHRM1FABP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2877807 0.83 CHRM1 (0.74) CHRM1ALDH1A1LMNA
SCHEMBL2883219 0.83 CHRM1 (0.76) CHRM1FABP4ALDH1A1KDM4EMAPT
SCHEMBL2883187 0.81 CHRM1 (0.56) CHRM1ALDH1A1

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 1/4885FABP4 3265/4885ATM 2887/4885

“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.