Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL14861127 | 0.79 | LATS1 (0.52) | PHGDHDRD2DRD3HTR1ADRD4 | |
| SCHEMBL14860965 | 0.78 | HRH3 (0.61) | PHGDHHTR1AP2RX7ROCK2ROCK1 | |
| SCHEMBL5802241 | 0.77 | KDM4E (0.48) | PHGDHP2RX7CYP2C19KDM4EMAPKAPK2 | |
| SCHEMBL6924480 | 0.77 | PRKCB (0.46) | PHGDHROCK2ROCK1LMNACYP1A2 | |
| SCHEMBL6924475 | 0.77 | PRKCB (0.46) | PHGDHROCK2ROCK1LMNACYP1A2 | |
| SCHEMBL15488697 | 0.76 | POLB (0.52) | PHGDHP2RX7LMNACYP1A2CYP3A4 | |
| SCHEMBL2420958 | 0.76 | CYP2D6 (0.66) | PHGDHHTR1AROCK2ROCK1LMNA | |
| SCHEMBL15783909 | 0.74 | MAPT (0.52) | KDM4E | |
| SCHEMBL17729077 | 0.73 | ALDH1A1 (0.52) | PHGDHHTR1AP2RX7ROCK2ROCK1 | |
| SCHEMBL17737440 | 0.73 | P2RX7 (0.56) | PHGDHP2RX7LMNAKDM4ECHRM1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978751-B1 | TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-12-05 | — | — | EP | disclosed |
| EP-2906541-B1 | GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2906552-B1 | GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-22 | — | — | EP | disclosed |
| US-9738655-B2 | Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-22 | — | — | US | disclosed |
| US-9403774-B2 | Guanidine and amine substituted tetrahydroisoquinoline compounds as factor xia inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-08-02 | — | — | US | disclosed |
| US-20160145263-A1 | TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2016-05-26 | — | — | US | disclosed |
| US-9315519-B2 | Guanidine substituted tetrahydroisoquinoline compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-04-19 | — | — | US | disclosed |
| EP-2978751-A1 | TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-02-03 | — | — | EP | disclosed |
| US-20150274671-A1 | GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-10-01 | — | — | US | disclosed |
| US-20150259358-A1 | GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-09-17 | — | — | US | disclosed |
| EP-2906552-A1 | GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-08-19 | — | — | EP | disclosed |
| EP-2906541-A1 | GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-08-19 | — | — | EP | disclosed |
| WO-2014160668-A1 | TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-02 | — | — | WO | disclosed |
| WO-2014059202-A1 | GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-04-17 | — | — | WO | disclosed |
| WO-2014059214-A1 | GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-04-17 | — | — | 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 (3 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-20150259358-A1 | GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | KLKB1, TFPI, TFPI2 | PHGDH 3403/4885DRD2 3412/4885DRD3 3727/4885 |
| US-20150274671-A1 | GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | TFPI, TFPI2, KLKB1 | PHGDH 3339/4885DRD2 3028/4885DRD3 3347/4885 |
| US-20160145263-A1 | TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS | TFPI2, TFPI, F12 | PHGDH 3631/4885DRD2 4680/4885DRD3 4722/4885 |
“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.