Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 6/20 | 0.43 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL770667 | 0.82 | SMPD3 (0.66) | SMPD3KDM4EALDH1A1VCPTLR9 | |
| SCHEMBL8541773 | 0.79 | SMPD3 (0.58) | SMPD3KDM4EALDH1A1VCPTLR9 | |
| SCHEMBL6002654 | 0.78 | SMPD3 (0.56) | SMPD3KDM4EALDH1A1VCPTLR9 | |
| SCHEMBL27963202 | 0.78 | SMPD3 (0.56) | SMPD3KDM4EALDH1A1VCPTLR9 | |
| SCHEMBL29955668 | 0.78 | NISCH (0.45) | SMPD3KDM4EALDH1A1VCPNISCH | |
| SCHEMBL3368911 | 0.78 | SMPD3 (0.56) | SMPD3KDM4EALDH1A1VCPTLR9 | |
| SCHEMBL27803371 | 0.78 | SMPD3 (0.65) | SMPD3KDM4EALDH1A1VCPTLR9 | |
| SCHEMBL7055331 | 0.76 | ERN1 (0.51) | KDM4EALDH1A1LMNAERN1RAF1 | |
| SCHEMBL4508073 | 0.75 | ERN1 (0.69) | KDM4EALDH1A1LMNAERN1RAF1 | |
| SCHEMBL5803059 | 0.75 | SMPD3 (0.69) | SMPD3KDM4EALDH1A1VCPTLR9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030162766-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | PFIZER INC. | 2003-08-28 | — | — | US | disclosed |
| US-6369074-B1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | PFIZER INC. | 2002-04-09 | — | — | US | disclosed |
| US-20010023248-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | HOWARD HARRY R (US) | 2001-09-20 | — | — | US | disclosed |
| EP-0675886-B1 | AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 2000-07-05 | — | — | EP | disclosed |
| US-5854262-A | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | PFIZER INC. (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0806423-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists | PFIZER INC. (US) | 1997-11-12 | — | — | EP | disclosed |
| EP-0675886-A1 | AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-10-11 | — | — | EP | disclosed |
| CN-1092771-A | The non-aromatic heterocycles that aminomethylene replaces | PFIZER (US) | 1994-09-28 | — | — | CN | disclosed |
| WO-1994013663-A1 | AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-06-23 | — | — | 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-20010023248-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | NPY1R, OPRK1, OPRL1 | SMPD3 2244/4885KDM4E 1271/4885ALDH1A1 856/4885 |
| US-20030162766-A1 | Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists | NPY1R, OPRK1, TACR1 | SMPD3 2820/4885KDM4E 1245/4885ALDH1A1 1055/4885 |
“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.