Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.79 |
| ▸ | GPBAR1 | Q8TDU6 | 11/20 | 0.76 |
| ▸ | TACR3 | P29371 | 7/20 | 0.66 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6640269 | 0.99 | TACR1 (0.77) | TACR1GPBAR1TACR3 | |
| SCHEMBL6862684 | 0.92 | TACR1 (0.79) | TACR1GPBAR1TACR3 | |
| Hydrochloric Acid SCHEMBL6868998 | 0.91 | TACR1 (0.77) | TACR1GPBAR1TACR3 | |
| SCHEMBL1399384 | 0.88 | TACR1 (1.00) | TACR1GPBAR1 | |
| SCHEMBL6867420 | 0.88 | TACR1 (0.73) | TACR1GPBAR1TACR3 | |
| Hydrochloric Acid SCHEMBL6636227 | 0.87 | TACR1 (0.98) | TACR1GPBAR1 | |
| SCHEMBL12097312 | 0.86 | GPBAR1 (1.00) | GPBAR1 | |
| SCHEMBL337184 | 0.85 | TACR1 (0.74) | TACR1GPBAR1TACR3 | |
| SCHEMBL5782199 | 0.84 | TACR1 (0.73) | TACR1TACR3 | |
| SCHEMBL12097585 | 0.84 | GPBAR1 (1.00) | GPBAR1 |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1984891-B | Process for the preparation of carboxamide pyridine derivatives useful as intermediates in the synthesis of NK-1 receptor antagonists | HOFFMANN LA ROCHE | 2012-08-08 | — | — | CN | claimed |
| CN-1835922-B | Process for preparing 4-aryl-nicotinamide derivatives | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | claimed |
| EP-1776342-B1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | claimed |
| US-7384939-B2 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2008-06-10 | — | — | US | claimed |
| EP-1656351-B1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | claimed |
| CN-1984891-A | Process for the preparation of carboxamide pyridine derivatives useful as intermediates in the synthesis of NK-1 receptor antagonists | HOFFMANN LA ROCHE (CH) | 2007-06-20 | — | — | CN | claimed |
| EP-1776342-A1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-25 | — | — | EP | claimed |
| EP-1349541-B1 | SELF EMULSIFYING LIPID MATRIX (SELM) | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | EP | claimed |
| CN-1835922-A | Process for preparing 4-aryl-nicotinamide derivatives | HOFFMANN LA ROCHE (CH) | 2006-09-20 | — | — | CN | claimed |
| EP-1656351-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | claimed |
| EP-1349541-A1 | SELF EMULSIFYING LIPID MATRIX (SELM) | F. Hoffman-la Roche AG (CH) | 2003-10-08 | — | — | EP | claimed |
| US-20030083345-A1 | Method of treatment and/or prevention of brain, spinal or nerve injury | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-01 | — | — | US | claimed |
| WO-2003006016-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE, FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-23 | — | — | WO | claimed |
| US-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-02 | — | — | US | claimed |
| WO-2002085458-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. HOFFMAN-LA ROCHE AG (CH) | 2002-10-31 | — | — | WO | claimed |
| US-20020114837-A1 | Galenic composition for low bioavailability medicaments | F.HOFFMANN-LA ROCHE AG (CH) | 2002-08-22 | — | — | US | claimed |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | BOS MICHAEL (CA) | 2002-07-11 | — | — | US | claimed |
| WO-2002047663-A1 | SELF EMULSIFYING LIPID MATRIX (SELM) | F. HOFFMAN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | claimed |
| US-6297375-B1 | 4-phenyl-pyridine derivatives | HOFFMANN-LA ROCHE INC. | 2001-10-02 | — | — | US | claimed |
| EP-1035115-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-13 | — | — | EP | claimed |
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-20030004157-A1 | Use of NK-1 receptor antagonists against benign prostatic hyperplasia | KLK3, TACR1, TACR2 | TACR1 2/4885GPBAR1 84/4885TACR3 124/4885 |
| US-20030083345-A1 | Method of treatment and/or prevention of brain, spinal or nerve injury | NTRK2, NTSR1, NMUR1 | TACR1 9/4885GPBAR1 333/4885TACR3 50/4885 |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | CBR1, CBR3, HCCS | TACR1 534/4885GPBAR1 327/4885TACR3 551/4885 |
“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.