Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | GPR39 | O43194 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5103917 | 1.00 | TACR1 (0.47) | TACR1TAAR1SCN10AROCK2GPR39 | |
| SCHEMBL5111361 | 0.86 | ROCK2 (0.47) | TAAR1ROCK2OPRM1OPRD1CTDSP1 | |
| SCHEMBL5110751 | 0.83 | TAAR1 (0.42) | TAAR1SCN10AROCK2RAB9AKDM4E | |
| SCHEMBL6525600 | 0.83 | TAAR1 (0.42) | TAAR1SCN10AROCK2RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL29630186 | 0.83 | TAAR1 (0.57) | TACR1TAAR1SCN10ARAB9A | |
| Hydrochloric Acid SCHEMBL27090434 | 0.83 | TAAR1 (0.57) | TACR1TAAR1SCN10ARAB9A | |
| Hydrochloric Acid SCHEMBL27149224 | 0.83 | TAAR1 (0.57) | TACR1TAAR1SCN10ARAB9A | |
| SCHEMBL4162306 | 0.82 | TAAR1 (0.43) | TAAR1SCN10AROCK2RAB9AKDM4E | |
| SCHEMBL583539 | 0.82 | TAAR1 (0.43) | TAAR1SCN10AROCK2RAB9AKDM4E | |
| SCHEMBL1479674 | 0.82 | TAAR1 (0.43) | TAAR1SCN10AROCK2RAB9AKDM4E |
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-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | disclosed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | disclosed |
| EP-1583757-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-10-12 | — | — | EP | disclosed |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-09-09 | — | — | US | disclosed |
| WO-2004058743-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | 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-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | F11, F12, F2 | TACR1 2931/4885TAAR1 1160/4885SCN10A 485/4885 |
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | F12, F11, F2 | TACR1 2807/4885TAAR1 1512/4885SCN10A 420/4885 |
“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.