SCHEMBL2881808

SCHEMBL2881808

O=C(O)c1cn(Cc2cc(F)cc(F)c2)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.70
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 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
SCHEMBL2883197 0.88 CHRM1 (0.80) CHRM1SMN1; SMN2LMNA
SCHEMBL2877807 0.87 CHRM1 (0.74) CHRM1ALDH1A1HTTLMNA
SCHEMBL2877481 0.87 CHRM1 (0.86) CHRM1MAPTHTTLMNA
SCHEMBL14413508 0.85 CHRM1 (0.78) CHRM1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL2486076 0.82 CHRM1 (1.00) CHRM1LMNA
SCHEMBL3234264 0.82 CHRM1 (0.73) CHRM1MAPTSMN1; SMN2LMNA
SCHEMBL2487928 0.82 CHRM1 (0.83) CHRM1
SCHEMBL16341817 0.81 CHRM1 (1.00) CHRM1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3239724 0.81 CHRM1 (0.50) CHRM1MAPTSMN1; SMN2
SCHEMBL2881818 0.81 CHRM1 (0.73) CHRM1ALDH1A1SMN1; 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 8 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

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 1/4885MAPT 293/4885ALDH1A1 3393/4885

“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.