SCHEMBL2223779

SCHEMBL2223779

COc1ccc(CCl)c[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.35
TTR P02766 2/20 0.33
GPR84 Q9NQS5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL17544632 0.78 ALDH1A1 (0.37) IDH1
SCHEMBL6691507 0.74 IDH1 (0.37) IDH1
SCHEMBL477780 0.71 CA1 (0.34) GPR84L3MBTL1CA1CA2
SCHEMBL13291152 0.69 GAA (0.38) IDH1CA1CA2
SCHEMBL10330647 0.69 IDH1 (0.37) IDH1
SCHEMBL17544669 0.66 MAOB (0.49) L3MBTL1CA1CA2
SCHEMBL6387131 0.65 IDH1 (0.38) IDH1
SCHEMBL13096 0.63 IDO1 (0.58) CA1CA2
SCHEMBL11255695 0.61 ACHE (0.40)
SCHEMBL1657653 0.61 IDO1 (0.56) CA1CA2

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
EP-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-03-17 US disclosed
US-9199939-B2 Quinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-12-01 US disclosed
CN-102651970-B Quinoline amide m1 receptor positive allosteric modulators MERCK SHARP & DOHME 2014-11-12 CN disclosed
EP-2512243-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
CN-102651970-A Quinoline amide m1 receptor positive allosteric modulators MERCK SHARP & DOHME 2012-08-29 CN disclosed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (2 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-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 IDH1 4106/4885TTR 3695/4885GPR84 42/4885
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 IDH1 4015/4885TTR 2997/4885GPR84 49/4885

“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.