SCHEMBL388174

SCHEMBL388174

[NH]C1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.58
ANPEP P15144 2/20 0.48
GRIN2B Q13224 3/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HTR1A P08908 1/20 0.44
TSHR P16473 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL11569221 0.87 PLAU (0.52) PLAUANPEPGRIN2BMTNR1AMTNR1B
SCHEMBL43699 0.84 IDO1 (0.46) PLAUANPEPCA1CA2TSHR
SCHEMBL5693079 0.77 PLAU (0.60) PLAUANPEPGRIN2BMTNR1AMTNR1B
SCHEMBL10382832 0.74 OPRK1 (0.62) CA1CA2HTR1ACYP19A1
SCHEMBL24701721 0.73 PLAU (0.56) PLAUANPEPGRIN2BMTNR1AMTNR1B
SCHEMBL4922138 0.73 PLAU (0.56) PLAUANPEPGRIN2BMTNR1AMTNR1B
SCHEMBL9163628 0.73 PLAU (0.56) PLAUANPEPGRIN2BMTNR1AMTNR1B
SCHEMBL895905 0.73 PLAU (1.00) PLAUANPEPCA1CA2
SCHEMBL17151026 0.73 PLAU (0.56) PLAUANPEPGRIN2BMTNR1AMTNR1B
SCHEMBL291460 0.73 ANPEP (0.57) PLAUANPEPGRIN2BMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376427-B1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-02 EP disclosed
US-8969367-B2 Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-03 US disclosed
US-8969370-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-03 US disclosed
US-20140329845-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-11-06 US disclosed
US-8703791-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2014-04-22 US disclosed
US-20140031380-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-01-30 US disclosed
US-20130345466-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE, INC. (US) 2013-12-26 US disclosed
US-8497287-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-30 US disclosed
US-8492399-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-23 US disclosed
US-8486958-B2 Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE, INC. (US) 2013-07-16 US disclosed
US-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-20090149535-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-6368573-B1 MEASURING MYOCARDIAL FUNCTION IN MAMMAL KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-04-09 US disclosed
EP-0564520-A1 USE OF CERTAIN GLUTARIMIDE DERIVATIVES IN THE TREATMENT OF DEPRESSION AND MANIA MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-13 EP disclosed
WO-1992011011-A1 USE OF CERTAIN GLUTARIMIDE DERIVATIVES IN THE TREATMENT OF DEPRESSION AND MANIA MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-09 WO disclosed
EP-0492021-A1 Use of certain 1,2-benzoisothiazol-3(2H)-1,1-dioxide derivatives in the treatment of depression and mania MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-01 EP disclosed
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP 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 (5 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-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 PLAU 3638/4885ANPEP 566/4885GRIN2B 145/4885
US-20090149535-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 PLAU 3048/4885ANPEP 504/4885GRIN2B 294/4885
US-20130345466-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND OPRM1, OPRK1, OPRL1 PLAU 3518/4885ANPEP 995/4885GRIN2B 302/4885
US-20140329845-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 PLAU 3048/4885ANPEP 504/4885GRIN2B 294/4885
US-20140031380-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 PLAU 3048/4885ANPEP 504/4885GRIN2B 294/4885

“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.