Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3664435 | 0.89 | TACR1 (0.46) | TACR1SIGMAR1GRIN1GRIN2BDPP4 | |
| SCHEMBL3554063 | 0.85 | TACR1 (0.54) | TACR1SIGMAR1GRIN1GRIN2BCYP1A2 | |
| SCHEMBL1400959 | 0.82 | TACR1 (0.61) | TACR1SIGMAR1GRIN1GRIN2BCYP1A2 | |
| SCHEMBL29246345 | 0.82 | TACR1 (0.57) | TACR1SIGMAR1GRIN1GRIN2B | |
| SCHEMBL6440459 | 0.81 | TACR1 (0.64) | TACR1SIGMAR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3997201 | 0.80 | TACR1 (0.52) | TACR1SIGMAR1 | |
| SCHEMBL3902021 | 0.77 | TACR1 (0.54) | TACR1SIGMAR1ALDH1A1 | |
| SCHEMBL1617419 | 0.77 | TACR1 (0.50) | TACR1SIGMAR1GRIN1GRIN2BPNMT | |
| SCHEMBL6440867 | 0.77 | TACR1 (0.65) | TACR1SIGMAR1GRIN1GRIN2B | |
| SCHEMBL6439506 | 0.77 | TACR1 (0.54) | TACR1SIGMAR1GRIN1GRIN2BALDH1A1 |
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-7923450-B2 | Modulators for amyloid beta | HOFFMANN-LA ROCHE INC. (US) | 2011-04-12 | — | — | US | disclosed |
| US-20090181965-A1 | MODULATORS FOR AMYLOID BETA | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-16 | — | — | US | disclosed |
| CN-1229373-C | Piperidinee derivatives as neurokinin/antagonists | HOFFMANN LA ROCHE (CH) | 2005-11-30 | — | — | CN | disclosed |
| EP-1360184-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2005-03-30 | — | — | EP | disclosed |
| CN-1491222-A | piperidine derivatives as neurokinin 1 antagonists | - | 2004-04-21 | — | — | CN | disclosed |
| EP-1360184-A1 | PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-12 | — | — | EP | disclosed |
| US-6642226-B2 | Such as cis-(3,5-bis-trifluoromethyl-phenyl)-(4-(4-methyl-piperazin-1-yl),-3-phenyl -piperidin-1-yl)-methanone; for treatment of diseases related to neurokinin receptors | HOFFMAN-LA ROCHE INC. | 2003-11-04 | — | — | US | disclosed |
| US-20020151547-A1 | Substituted phenyl-piperidine methanone compounds | F.HOFFMANN-LA ROCHE AG (CH) | 2002-10-17 | — | — | US | disclosed |
| WO-2002062784-A1 | PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-15 | — | — | 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-20020151547-A1 | Substituted phenyl-piperidine methanone compounds | TACR1, OPRK1, TACR2 | TACR1 1/4885SIGMAR1 27/4885GRIN1 406/4885 |
| US-20090181965-A1 | MODULATORS FOR AMYLOID BETA | APP, PSEN1, BACE1 | TACR1 1162/4885SIGMAR1 2262/4885GRIN1 2523/4885 |
“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.