SCHEMBL390761

SCHEMBL390761

O=C(O)CCCNC1CCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.60
SLC6A3 Q01959 1/20 0.60
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.56
EPHX2 P34913 2/20 0.55
DHODH Q02127 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL14969305 0.84 ALDH1A1 (0.57) ALDH1A1HTTEPHX2DHODHL3MBTL1
SCHEMBL14969304 0.83 ALDH1A1 (0.56) ALDH1A1HTTEPHX2DHODHL3MBTL1
SCHEMBL5901234 0.83 HTT (0.61) ALDH1A1HTTDHODHL3MBTL1MEN1
SCHEMBL12269128 0.83 HTR2C (0.55) HTR2CSLC6A3ALDH1A1HTTEPHX2
SCHEMBL18995758 0.81 ALDH1A1 (0.60) ALDH1A1HTTDHODHMEN1KMT2A
SCHEMBL7226538 0.80 ALDH1A1 (0.59) ALDH1A1HTTEPHX2MEN1KMT2A
SCHEMBL10230989 0.80 ALDH1A1 (0.53) ALDH1A1HTTEPHX2DHODHMEN1
SCHEMBL917675 0.80 ALDH1A1 (0.53) ALDH1A1HTTEPHX2DHODHMEN1
SCHEMBL8517647 0.79 HTT (0.56) ALDH1A1HTTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL9595244 0.78 EPHX2 (0.61) ALDH1A1EPHX2

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 54 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
CN-101896455-B 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE INC 2015-04-29 CN disclosed
CN-101896455-B 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE INC 2015-04-29 CN disclosed
CN-102245564-B Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE BIOPHARMA R & D IP LLC 2015-04-01 CN 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-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-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-8969367-B2 Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-03 US 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-20140329845-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-11-06 US disclosed
EP-2231585-A2 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-09-29 EP disclosed
WO-2010068649-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE, INC. (US) 2010-06-17 WO disclosed
US-20100144881-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC 2010-06-10 US disclosed
WO-2009076408-A3 3 -CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-09-03 WO disclosed
WO-2009076408-A2 3 -CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-18 WO disclosed
WO-2009076408-A2 3 -CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-18 WO 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-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
EP-1200395-A1 UREA DERIVATIVES AS INHIBITORS OF CCR-3 RECEPTOR KIRIN BEER KABUSHIKI KAISHA (JP) 2002-05-02 EP disclosed
WO-2001009088-A1 UREA DERIVATIVES AS INHIBITORS OF CCR-3 RECEPTOR KIRIN BEER KABUSHIKI KAISHA (JP) 2001-02-08 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-20090149535-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 HTR2C 32/4885SLC6A3 265/4885ALDH1A1 601/4885
US-20140329845-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 HTR2C 32/4885SLC6A3 265/4885ALDH1A1 601/4885
US-20100144881-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND OPRM1, OPRK1, OPRL1 HTR2C 14/4885SLC6A3 261/4885ALDH1A1 1569/4885

“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.