Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | RAD52 | P43351 | 1/20 | 0.53 |
| ▸ | COL1A1 | P02452 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL990162 | 0.94 | KDM4E (0.72) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL2478031 | 0.92 | KDM4E (0.67) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL12200072 | 0.86 | KDM4E (0.58) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL3654274 | 0.86 | KDM4E (0.61) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL4098416 | 0.83 | KDM4E (0.73) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL8025519 | 0.80 | KDM4E (0.79) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL2958134 | 0.79 | KDM4E (0.63) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL28494818 | 0.79 | KDM4E (0.49) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL4278138 | 0.78 | KDM4E (1.00) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL945359 | 0.77 | KDM4E (0.48) | KDM4EGLARCE1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2227454-B1 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |
| US-8314238-B2 | Process for the preparation of an enantiomeric trisubstituted 3,4-dihydro-isoquinoline derivative | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-11-20 | — | — | US | disclosed |
| US-8247560-B2 | Trisubstituted 3,4-dihydro-1H-isoquinolin compound, process for its preparation, and its use | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-21 | — | — | US | disclosed |
| EP-2227455-B1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-12 | — | — | EP | disclosed |
| WO-2011001373-A1 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY PURE TRISUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVE | ACTELION PHARMACEUTICALS LTD (CH) | 2011-01-06 | — | — | WO | disclosed |
| US-20100305325-A1 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE | IDORSIA PHARMACEUTICALS LTD (CH) | 2010-12-02 | — | — | US | disclosed |
| EP-2227454-A2 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE | Actelion Pharmaceuticals Ltd. (CH) | 2010-09-15 | — | — | EP | disclosed |
| EP-2227455-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | Actelion Pharmaceuticals Ltd. (CH) | 2010-09-15 | — | — | EP | disclosed |
| US-20100010226-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | IDORSIA PHARMACEUTICALS LTD (CH) | 2010-01-14 | — | — | US | disclosed |
| WO-2009083899-A2 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE | ACTELION PHARMACEUTICALS LTD (CH) | 2009-07-09 | — | — | WO | disclosed |
| WO-2009083903-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2009-07-09 | — | — | 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 (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-20100010226-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | CYP3A7, UGT1A7, CYP51A1 | KDM4E 1554/4885GLA 2659/4885RCE1 170/4885 |
| US-20100305325-A1 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE | DHPS, CISD1, CISD2 | KDM4E 2275/4885GLA 4789/4885RCE1 654/4885 |
“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.