SCHEMBL1761182

SCHEMBL1761182

CCCCOc1c(Br)cccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ THRA P10827 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ AR P10275 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MYB P10242 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL29122661 0.85 DYRK1A (0.38) TSHRTHRBALDH1A1ARSMN1; SMN2
SCHEMBL24553670 0.84 DYRK1A (0.35) TSHRALDH1A1ARNPC1RAB9A
SCHEMBL25816117 0.84 PTGES (0.35) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL12646924 0.82 THRA (0.50) TSHRTHRATHRBALDH1A1HPGD
SCHEMBL28053434 0.82 AR (0.37) ALDH1A1ARNPC1RAB9ADYRK1A
SCHEMBL29844444 0.81 TSHR (0.39) TSHRALDH1A1HPGDARSMN1; SMN2
SCHEMBL29844299 0.81 L3MBTL1 (0.41) TSHRALDH1A1HPGDARSMN1; SMN2
SCHEMBL30509819 0.79 EGFR (0.39) TSHRALDH1A1HPGDNPC1RAB9A
SCHEMBL21143326 0.79 EGFR (0.39) TSHRALDH1A1HPGDNPC1RAB9A
SCHEMBL28312806 0.78 THRA (0.40) TSHRTHRATHRBALDH1A1HPGD

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 25 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
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-7902220-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists Theravance, Inc, (US) 2011-03-08 — — US disclosed
US-7902220-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists Theravance, Inc, (US) 2011-03-08 — — US disclosed
CN-101790529-A 8-azabicyclo [3.2.1] octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE INC 2010-07-28 — — CN 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
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
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 — — 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 (3 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-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 TSHR 397/4885THRA 458/4885THRB 239/4885
US-20140080855-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 TSHR 397/4885THRA 458/4885THRB 239/4885
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 TSHR 397/4885THRA 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.

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