Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 1/20 | 0.46 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL490150 | 1.00 | CYP1A2 (0.52) | CYP1A2KMT2AATMMIFALDH1A1 | |
| SCHEMBL563663 | 0.87 | PPARG (0.53) | CYP1A2KMT2AALDH1A1MEN1CPA1 | |
| SCHEMBL7292873 | 0.85 | CYP1A2 (0.50) | CYP1A2KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7301662 | 0.85 | CYP1A2 (0.50) | CYP1A2KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9834113 | 0.85 | CYP1A2 (0.50) | CYP1A2KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL435251 | 0.85 | CYP1A2 (0.50) | CYP1A2KMT2AATMMIFALDH1A1 | |
| SCHEMBL490285 | 0.83 | GRIK1 (0.47) | KMT2ACYP2C9CYP2C19POLB | |
| SCHEMBL3596338 | 0.83 | ALDH1A1 (0.57) | CYP1A2KMT2AATMALDH1A1THRB | |
| SCHEMBL9531957 | 0.83 | CYP1A2 (0.55) | CYP1A2ALDH1A1HSD17B10CPA1 | |
| SCHEMBL117431 | 0.83 | CYP1A2 (0.60) | CYP1A2KMT2AATMALDH1A1THRB |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-8492399-B2 | 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2013-07-23 | — | — | 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-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-8106232-B2 | 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2012-01-31 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130035510-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | CYP1A2 226/4885KMT2A 2107/4885ATM 4726/4885 |
| US-20120088787-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | CYP1A2 226/4885KMT2A 2107/4885ATM 4726/4885 |
| US-20090149535-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | CYP1A2 226/4885KMT2A 2107/4885ATM 4726/4885 |
| US-20140329845-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | CYP1A2 226/4885KMT2A 2107/4885ATM 4726/4885 |
| US-20140031380-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | CYP1A2 226/4885KMT2A 2107/4885ATM 4726/4885 |
“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.