Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSH | P09668 | 2/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27817257 | 1.00 | ALDH1A1 (0.38) | ALDH1A1KMT2ALTA4HCTSKCTSL | |
| SCHEMBL3130298 | 0.87 | ALDH1A1 (0.39) | ALDH1A1KMT2ALTA4HCTSKCTSL | |
| SCHEMBL3129997 | 0.87 | ALDH1A1 (0.39) | ALDH1A1KMT2ALTA4HCTSKCTSL | |
| SCHEMBL388036 | 0.86 | ALDH1A1 (0.38) | ALDH1A1KMT2ALTA4HCTSKCTSL | |
| SCHEMBL387234 | 0.78 | ATM (0.44) | ALDH1A1CTSKCTSLCTSBREN | |
| SCHEMBL27817258 | 0.78 | ATM (0.44) | ALDH1A1CTSKCTSLCTSBREN | |
| SCHEMBL392982 | 0.78 | KMT2A (0.39) | ALDH1A1KMT2ALTA4HCTSKCTSL | |
| SCHEMBL392983 | 0.78 | KMT2A (0.39) | ALDH1A1KMT2ALTA4HCTSKCTSL | |
| SCHEMBL19179736 | 0.77 | LTA4H (0.40) | ALDH1A1KMT2ALTA4HCTSKCTSL | |
| SCHEMBL19179737 | 0.77 | LTA4H (0.40) | ALDH1A1KMT2ALTA4HCTSKCTSL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2376427-A1 | CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND | Theravance, Inc. (US) | 2011-10-19 | — | — | 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 (2 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-20120088787-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | ALDH1A1 601/4885KMT2A 2107/4885LTA4H 1258/4885 |
| US-20120088834-A1 | CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND | OPRM1, OPRK1, OPRL1 | ALDH1A1 1569/4885KMT2A 2248/4885LTA4H 1815/4885 |
“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.