Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | PI4KA | P42356 | 1/20 | 0.31 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.31 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.31 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5763890 | 0.80 | DPP4 (0.38) | CRHR1ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL5762797 | 0.74 | CRHR1 (0.46) | CRHR1ALDH1A1HPGDKDM4EXDH | |
| SCHEMBL5843198 | 0.67 | CRHR1 (0.48) | CRHR1 | |
| SCHEMBL5844074 | 0.67 | CRHR1 (0.47) | CRHR1 | |
| SCHEMBL5762166 | 0.64 | CRHR1 (0.42) | CRHR1 | |
| SCHEMBL14675573 | 0.63 | TACR1 (0.41) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14677950 | 0.63 | TACR1 (0.41) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14677066 | 0.63 | TACR1 (0.41) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL14676736 | 0.62 | SLC6A2 (0.41) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL14676739 | 0.62 | SLC6A2 (0.41) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 |
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-7074929-B2 | Certain alkylene diamine-substituted heterocycles | NEUROGEN CORP. (US) | 2006-07-11 | — | — | US | disclosed |
| EP-1224187-B1 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED HETEROCYCLES | NEUROGEN CORP (US) | 2006-02-22 | — | — | EP | disclosed |
| US-20040229870-A1 | Certain alkylene diamine-substituted heterocycles | NEUROGEN CORPORATION | 2004-11-18 | — | — | US | disclosed |
| US-6696445-B2 | NEUROPEPTIDE Y RECEPTOR ANTAGONISTS COMPRISING HETEROCYCLIC NITROGEN COMPOUNDS AND/OR PRODRUGS USED FOR PROPHYLAXIS OF EATING AND CARDIOVASCULAR DISORDERS | NEUROGEN CORPORATION | 2004-02-24 | — | — | US | disclosed |
| US-20030158197-A1 | Certain alkylene diamine-substituted heterocycles | NEUROGEN CORPORATION | 2003-08-21 | — | — | 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 (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-20030158197-A1 | Certain alkylene diamine-substituted heterocycles | NPY1R, NPY5R, NPY2R | CRHR1 16/4885ALDH1A1 4696/4885HPGD 1838/4885 |
| US-20040229870-A1 | Certain alkylene diamine-substituted heterocycles | NPY1R, NPY5R, NPY2R | CRHR1 14/4885ALDH1A1 4696/4885HPGD 1846/4885 |
“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.