SCHEMBL2956211

SCHEMBL2956211

COc1cccc(COCCBr)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
MAOB P27338 8/20 0.51
TAAR1 Q96RJ0 3/20 0.50
CHRM3 P20309 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
CMA1 P23946 1/20 0.46

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
SCHEMBL7387588 0.89 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL7386591 0.87 IDO1 (0.53) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL5432845 0.86 IDO1 (0.51) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL3768643 0.85 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL19049283 0.84 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL2091873 0.84 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL2970007 0.83 IDO1 (0.59) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL10458644 0.83 IDO1 (0.59) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL23640522 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1CHRM3
SCHEMBL4734636 0.81 IDO1 (0.57) IDO1AGXTMAOBTAAR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570128-B1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LTD (GB) 2016-08-10 EP disclosed
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2016-01-07 US disclosed
US-9144571-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2015-09-29 US disclosed
US-20150238470-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2015-08-27 US disclosed
US-9045469-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2015-06-02 US disclosed
US-20140371264-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2014-12-18 US disclosed
US-8853404-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-20140080863-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2014-03-20 US disclosed
US-8575347-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2013-11-05 US disclosed
US-20130030015-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20090124653-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
US-7498440-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-7488827-B2 Muscle relaxants; respiratory system disorders; asthma;COPD; emphysema; bronchitis GLAXO GROUP LIMITED (GB) 2009-02-10 US disclosed
US-20080194618-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-08-14 US disclosed
EP-1937068-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
WO-2007022351-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-22 WO disclosed
EP-1740177-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-01-10 EP disclosed
WO-2005104745-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-11-10 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 (9 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-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 IDO1 2785/4885AGXT 3576/4885MAOB 341/4885
US-20080194618-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 IDO1 2785/4885AGXT 3576/4885MAOB 341/4885
US-20090124653-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 IDO1 2785/4885AGXT 3576/4885MAOB 341/4885
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 IDO1 2263/4885AGXT 3619/4885MAOB 411/4885
US-20140080863-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 IDO1 2785/4885AGXT 3576/4885MAOB 341/4885
US-20130030015-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 IDO1 2785/4885AGXT 3576/4885MAOB 341/4885
US-20140371264-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 IDO1 2785/4885AGXT 3576/4885MAOB 341/4885
US-20150238470-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 IDO1 2263/4885AGXT 3619/4885MAOB 411/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 IDO1 2785/4885AGXT 3576/4885MAOB 341/4885

“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.