SCHEMBL390537

SCHEMBL390537

COC(=O)[C@H](CC(=O)O)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
MMP2 P08253 4/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
LMNA P02545 1/20 0.40
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
CTSK P43235 4/20 0.39
CTSD P07339 1/20 0.39
TSHR P16473 1/20 0.38
FFAR2 O15552 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
ATM Q13315 1/20 0.36
CTSS P25774 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL1176985 1.00 LTA4H (0.46) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL1176986 1.00 LTA4H (0.46) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL564014 0.91 KMT2A (0.39) LTA4HMMP2MMP9MMP12MMP1
SCHEMBL27792200 0.84 LTA4H (0.47) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL14686379 0.82 MMP2 (0.44) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL4244240 0.81 ALDH1A1 (0.41) LTA4HCTSKCTSDTSHRALDH1A1
SCHEMBL2856572 0.80 MMP2 (0.50) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL9208253 0.80 MMP2 (0.50) LTA4HMMP2MMP9MMP12LMNA
SCHEMBL389670 0.80 ALDH1A1 (0.40) LTA4HCTSKTSHRALDH1A1KMT2A
SCHEMBL389669 0.80 ALDH1A1 (0.40) LTA4HCTSKTSHRALDH1A1KMT2A

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 20 patents. 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-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-20130065916-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE, INC. (US) 2013-03-14 US disclosed
EP-2231585-B1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2013-02-13 EP disclosed
US-20130035510-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-02-07 US disclosed
US-8324236-B2 Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE, INC. (US) 2012-12-04 US disclosed
US-8318765-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-11-27 US disclosed
US-20120088787-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-20120088834-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8106232-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-8101794-B2 Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE, INC. (US) 2012-01-24 US disclosed
US-20100144881-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC 2010-06-10 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

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-20130035510-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 LTA4H 1258/4885MMP2 2341/4885MMP9 3296/4885
US-20120088787-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 LTA4H 1258/4885MMP2 2341/4885MMP9 3296/4885
US-20090149535-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 LTA4H 1258/4885MMP2 2341/4885MMP9 3296/4885
US-20130345466-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND OPRM1, OPRK1, OPRL1 LTA4H 1815/4885MMP2 3824/4885MMP9 4861/4885
US-20130065916-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND OPRM1, OPRK1, OPRL1 LTA4H 1815/4885MMP2 3824/4885MMP9 4861/4885
US-20120088834-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND OPRM1, OPRK1, OPRL1 LTA4H 1815/4885MMP2 3824/4885MMP9 4861/4885
US-20140329845-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 LTA4H 1258/4885MMP2 2341/4885MMP9 3296/4885
US-20100144881-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND OPRM1, OPRK1, OPRL1 LTA4H 1815/4885MMP2 3824/4885MMP9 4861/4885
US-20140031380-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 LTA4H 1258/4885MMP2 2341/4885MMP9 3296/4885

“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.