SCHEMBL4218364

SCHEMBL4218364

BrCCOCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
HTR7 P34969 1/20 0.44
HTR3A P46098 1/20 0.44
HTR4 Q13639 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GBA1 P04062 2/20 0.42
UGCG Q16739 2/20 0.42

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
SCHEMBL19249099 0.85 CYP1A2 (0.50) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL433146 0.84 CYP1A2 (0.58) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL7627282 0.83 CYP1A2 (0.48) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL8193732 0.81 MC4R (0.50) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL4223879 0.81 GBA1 (0.48) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL11258497 0.81 CYP1A2 (0.57) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL8193728 0.81 CYP1A2 (0.47) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL25473421 0.80 CYP1A2 (0.50) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL7624591 0.80 GBA1 (0.47) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL25754255 0.80 CYP1A2 (0.55) RAB9ACYP1A2CYP2A6SLC6A2SLC6A4

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 19 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
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
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 RAB9A 2952/4885NPC1 2708/4885MAPT 4036/4885
US-20090124653-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 RAB9A 2952/4885NPC1 2708/4885MAPT 4036/4885
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 RAB9A 2774/4885NPC1 2391/4885MAPT 3381/4885
US-20140080863-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 RAB9A 2952/4885NPC1 2708/4885MAPT 4036/4885
US-20130030015-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 RAB9A 2952/4885NPC1 2708/4885MAPT 4036/4885
US-20140371264-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 RAB9A 2952/4885NPC1 2708/4885MAPT 4036/4885
US-20150238470-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 RAB9A 2774/4885NPC1 2391/4885MAPT 3381/4885
US-20120157491-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 RAB9A 2952/4885NPC1 2708/4885MAPT 4036/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 RAB9A 2952/4885NPC1 2708/4885MAPT 4036/4885

“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.