Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | IDO1 | P14902 | 2/20 | 0.56 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | MIF | P14174 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29824490 | 0.98 | TAAR1 (0.60) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| SCHEMBL121048 | 0.98 | TAAR1 (0.60) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| Ammonia Solution, Strong SCHEMBL11220774 | 0.96 | TAAR1 (0.58) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| SCHEMBL7394840 | 0.86 | MAOB (0.53) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| Pyridine SCHEMBL17941438 | 0.86 | TAAR1 (0.49) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| SCHEMBL29696946 | 0.82 | TAAR1 (0.56) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| SCHEMBL14026863 | 0.82 | TAAR1 (0.56) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| SCHEMBL3119866 | 0.82 | TAAR1 (0.67) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| SCHEMBL5103155 | 0.80 | TAAR1 (0.64) | TAAR1IDO1HTR2AHTR2BHTR2C | |
| SCHEMBL3237564 | 0.80 | TAAR1 (0.64) | TAAR1IDO1HTR2AHTR2BHTR2C |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2604260-B1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SHIONOGI & CO (JP) | 2017-05-10 | — | — | EP | disclosed |
| US-20160052892-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO (JP) | 2016-02-25 | — | — | US | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | US | disclosed |
| CN-101896452-B | Carbon linked modulators of gamma-secretase | JANSSEN PHARMACEUTICA NV | 2013-07-31 | — | — | CN | disclosed |
| EP-2604260-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |
| CN-103140221-A | Novel heterocyclic derivatives and pharmaceutical composition containing same | SHIONOGI & CO | 2013-06-05 | — | — | CN | disclosed |
| EP-2215043-B1 | CARBON LINKED MODULATORS OF Y-SECRETASE | JANSSEN PHARMACEUTICA NV (BE) | 2013-03-06 | — | — | EP | disclosed |
| CN-101896452-A | Carbon linked modulators of gamma-secretase | JANSSEN PHARMACEUTICA NV | 2010-11-24 | — | — | CN | disclosed |
| EP-2215043-A1 | CARBON LINKED MODULATORS OF Y-SECRETASE | Janssen Pharmaceutica, N.V. (BE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009052334-A1 | CARBON LINKED MODULATORS OF Y-SECRETASE | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-04-23 | — | — | WO | disclosed |
| US-20090105288-A1 | CARBON LINKED MODULATORS OF gamma-SECRETASE | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-23 | — | — | 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 (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-20160052892-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | P2RX3, P2RX6, P2RX2 | TAAR1 450/4885IDO1 1701/4885HTR2A 167/4885 |
| US-20090105288-A1 | CARBON LINKED MODULATORS OF gamma-SECRETASE | BACE1, BACE2, PSEN1 | TAAR1 1904/4885IDO1 4489/4885HTR2A 3684/4885 |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | P2RX3, P2RX6, P2RX2 | TAAR1 450/4885IDO1 1701/4885HTR2A 167/4885 |
“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.