SCHEMBL4227685

SCHEMBL4227685

OC(c1ccccc1)c1ccc(C23CCN(CC2)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
OPRL1 P41146 11/20 0.39
OPRM1 P35372 10/20 0.39
OPRD1 P41143 10/20 0.39
OPRK1 P41145 10/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PNMT P11086 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL4216825 0.85 OPRL1 (0.40) LTA4HOPRL1OPRM1OPRD1OPRK1
SCHEMBL348028 0.79 PNMT (0.54) OPRL1OPRM1OPRD1OPRK1PNMT
Hydrochloric Acid SCHEMBL29535702 0.77 PNMT (0.52) OPRL1OPRM1OPRD1OPRK1PNMT
SCHEMBL2969459 0.72 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8671295 0.72 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA9
Diphenylmethanol SCHEMBL29133267 0.71 CHRNB4 (0.44) LTA4HCHRNB4CHRNA3SMN1; SMN2
Diphenylmethanol SCHEMBL41571 0.69 SMN1; SMN2 (0.61) SMN1; SMN2CA12CA1CA2CA9
Diphenylmethanol SCHEMBL6434457 0.69 SMN1; SMN2 (0.61) SMN1; SMN2CA12CA1CA2CA9
Diphenylmethanol SCHEMBL10868602 0.69 SMN1; SMN2 (0.61) SMN1; SMN2CA12CA1CA2CA9
Diphenylmethanol SCHEMBL11564700 0.69 SMN1; SMN2 (0.61) SMN1; SMN2CA12CA1CA2CA9

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2570128-A1 Muscarinic acetylcholine receptor antagonists Glaxo Group Limited (GB) 2013-03-20 EP disclosed
US-20130030015-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8309572-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2012-11-13 US disclosed
US-20120157491-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
US-8183257-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2012-05-22 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-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

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 LTA4H 697/4885OPRL1 33/4885OPRM1 34/4885
US-20090124653-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 LTA4H 697/4885OPRL1 33/4885OPRM1 34/4885
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 LTA4H 611/4885OPRL1 39/4885OPRM1 34/4885
US-20140080863-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 LTA4H 697/4885OPRL1 33/4885OPRM1 34/4885
US-20130030015-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 LTA4H 697/4885OPRL1 33/4885OPRM1 34/4885
US-20140371264-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 LTA4H 697/4885OPRL1 33/4885OPRM1 34/4885
US-20150238470-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 LTA4H 611/4885OPRL1 39/4885OPRM1 34/4885
US-20120157491-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 LTA4H 697/4885OPRL1 33/4885OPRM1 34/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 LTA4H 697/4885OPRL1 33/4885OPRM1 34/4885

“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.