Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10657976 | 1.00 | OPRM1 (0.42) | OPRM1OPRD1OPRK1GAAMAPT | |
| SCHEMBL9022189 | 0.84 | PSEN1 (0.39) | OPRM1OPRD1OPRK1GAAMAPT | |
| SCHEMBL30353791 | 0.83 | CA1 (0.48) | OPRM1OPRD1OPRK1MAPTMEN1 | |
| SCHEMBL9763993 | 0.83 | CA1 (0.48) | OPRM1OPRD1OPRK1MAPTMEN1 | |
| SCHEMBL30353844 | 0.83 | CA1 (0.48) | OPRM1OPRD1OPRK1MAPTMEN1 | |
| SCHEMBL5204234 | 0.82 | ALDH1A1 (0.42) | GAAMEN1KMT2ACYP2D6MAPK1 | |
| SCHEMBL43168 | 0.82 | GAA (0.58) | OPRM1OPRD1OPRK1GAAMAPT | |
| SCHEMBL29350888 | 0.82 | GAA (0.58) | OPRM1OPRD1OPRK1GAAMAPT | |
| SCHEMBL288260 | 0.82 | GAA (0.58) | OPRM1OPRD1OPRK1GAAMAPT | |
| SCHEMBL29350565 | 0.82 | GAA (0.58) | OPRM1OPRD1OPRK1GAAMAPT |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3245213-B1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL MYERS SQUIBB CO (US) | 2020-03-04 | — | — | EP | disclosed |
| EP-3245207-B1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL MYERS SQUIBB CO (US) | 2019-08-21 | — | — | EP | disclosed |
| US-10112975-B2 | Benzodiazepine dimers, conjugates thereof, and methods of making and using | BRISTON-MYERS SQUIBB COMPANY (US) | 2018-10-30 | — | — | US | disclosed |
| EP-3313854-A1 | MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES | Bristol-Myers Squibb Company (US) | 2018-05-02 | — | — | EP | disclosed |
| US-20180079781-A1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL-MYERS SQUIBB COMPANY | 2018-03-22 | — | — | US | disclosed |
| US-9902740-B2 | Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| US-20180037581-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL MYERS SQUIBB CO (US) | 2018-02-08 | — | — | US | disclosed |
| EP-3245207-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | Bristol-Myers Squibb Company (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-3245213-A1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | Bristol-Myers Squibb Company (US) | 2017-11-22 | — | — | EP | disclosed |
| US-9822144-B2 | Benzodiazepine dimers, conjugates thereof, and methods of making and using | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-11-21 | — | — | US | disclosed |
| US-9527871-B2 | Benzodiazepine dimers, conjugates thereof, and methods of making and using | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-12-27 | — | — | US | disclosed |
| WO-2016115201-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-07-21 | — | — | WO | disclosed |
| WO-2016115191-A1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-07-21 | — | — | WO | disclosed |
| US-20160200742-A1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL-MYERS SQUIBB COMPANY | 2016-07-14 | — | — | US | disclosed |
| US-20160199510-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL-MYERS SQUIBB COMPANY | 2016-07-14 | — | — | US | disclosed |
| US-6784293-B1 | SOLUTION AND SOLID-PHASE SYNTHESIS OF BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/ DIHYDROTHIOURACILS | THE PROCTER & GAMBLE COMPANY | 2004-08-31 | — | — | US | disclosed |
| WO-2001027087-A2 | PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS | THE PROCTER & GAMBLE COMPANY (US) | 2001-04-19 | — | — | WO | disclosed |
| US-5359074-A | Process for the preparation of racemic and optically active 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and its precursors | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-10-25 | — | — | US | disclosed |
| US-5252738-A | Process for the preparation of racemic and optically active 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and its precursors | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-10-12 | — | — | US | disclosed |
| US-4762821-A | HYPOTENSIVES | SYNTEX (U.S.A.) INC. (US) | 1988-08-09 | — | — | 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-20160200742-A1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | GABRA1, GABRA3, GABRA2 | OPRM1 76/4885OPRD1 64/4885OPRK1 68/4885 |
| US-20160199510-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | GABRA1, GABRA2, GABRA3 | OPRM1 124/4885OPRD1 33/4885OPRK1 82/4885 |
| US-10112975-B2 | Benzodiazepine dimers, conjugates thereof, and methods of making and using | GABRA1, GABRA3, GABRA2 | OPRM1 76/4885OPRD1 64/4885OPRK1 68/4885 |
| US-20180037581-A1 | HETEROARYLENE-BRIDGED BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | GABRA1, GABRA2, GABRA3 | OPRM1 124/4885OPRD1 33/4885OPRK1 82/4885 |
| US-20180079781-A1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | GABRA1, GABRA3, GABRA2 | OPRM1 76/4885OPRD1 64/4885OPRK1 68/4885 |
“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.