SCHEMBL1761232

SCHEMBL1761232

N#Cc1cccc(Br)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
IMPDH2 P12268 1/20 0.42
MAOA P21397 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
CNR1 P21554 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
Fluoride SCHEMBL28325117 0.86 MAOB (0.56) MAOBSGMS2IMPDH2MAOAHPGD
SCHEMBL23218707 0.83 HSD17B10 (0.50) THRBHPGDMAPTTSHRHSD17B10
SCHEMBL29592548 0.83 HSD17B10 (0.50) THRBHPGDMAPTTSHRHSD17B10
SCHEMBL1154801 0.82 THRB (0.56) MAOBTHRATHRBMAOAHPGD
SCHEMBL15602827 0.82 SGMS2 (0.52) MAOBSGMS2MAPTMAPK1TDP1
SCHEMBL28326121 0.81 MAOB (0.51) MAOBTHRATHRBSGMS2IMPDH2
SCHEMBL450088 0.81 KDM1A (0.50) MAOBSGMS2IMPDH2MAOAHPGD
SCHEMBL2445589 0.80 MAOB (0.50) MAOBTHRATHRBSGMS2IMPDH2
SCHEMBL16719426 0.78 MAOB (0.49) MAOBSGMS2IMPDH2HPGDMAPT
SCHEMBL8409148 0.78 HTR1A (0.53) MAOBSGMS2IMPDH2FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199993-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-9199993-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-19 US disclosed
US-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-19 US disclosed
US-8802698-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-12 US disclosed
US-8802698-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-12 US disclosed
US-20140080855-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-03-20 US disclosed
US-20140080855-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-03-20 US disclosed
EP-2183249-B1 8-Azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE INC (US) 2014-02-26 EP disclosed
US-8481563-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-09 US disclosed
EP-2183249-A1 8-AZABICYCLOÝ3.2.1¨OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-05-12 EP disclosed
WO-2009029256-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 WO disclosed
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-03-05 US disclosed
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-03-05 US disclosed
US-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis MARQUIS ROBERT W 2008-09-25 US disclosed
US-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis MARQUIS ROBERT W 2008-09-25 US disclosed
US-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis MARQUIS ROBERT W 2008-09-25 US disclosed
EP-1713767-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-16 EP disclosed
EP-1713767-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077892-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (4 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-20080234370-A1 Calcium receptor antagonists; 3-{3,4-Difluoro-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-propionic acid; bone disorders; hypoparathyroidism, osteosarcoma, periodontal disease, fracture healing,arthritis, Paget's disease, humoral hypercalcemia, osteoporosis PTH1R, CASR, CALCR MAOB 4815/4885THRA 55/4885THRB 155/4885
US-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MAOB 110/4885THRA 458/4885THRB 239/4885
US-20140080855-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MAOB 110/4885THRA 458/4885THRB 239/4885
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MAOB 110/4885THRA 458/4885THRB 239/4885

“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.