Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | TACR1 | P25103 | 7/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | TACR3 | P29371 | 3/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25460884 | 0.93 | MAPT (0.49) | MAPTTACR1CES2TACR3ALDH1A1 | |
| SCHEMBL25460811 | 0.80 | SLC6A3 (0.40) | MAPTTACR1CES2TACR3ALDH1A1 | |
| SCHEMBL4028192 | 0.77 | APP (0.53) | MAPTTACR1CES2GPR35ALDH1A1 | |
| SCHEMBL19903094 | 0.76 | MAPT (0.46) | MAPTTACR1CES2TACR3GPR35 | |
| SCHEMBL13271102 | 0.76 | CNR2 (0.40) | MAPTALDH1A1LMNAGAA | |
| SCHEMBL4030734 | 0.76 | CES2 (0.47) | MAPTTACR1CES2GPR35ALDH1A1 | |
| SCHEMBL25460807 | 0.76 | CNR2 (0.35) | MAPTTACR1TACR3ALDH1A1HDAC3 | |
| SCHEMBL1202442 | 0.75 | CES2 (0.50) | MAPTTACR1CES2TACR3GPR35 | |
| Hydrochloric Acid SCHEMBL5756823 | 0.75 | APP (0.51) | MAPTTACR1CES2GPR35ALDH1A1 | |
| SCHEMBL25460880 | 0.74 | CA12 (0.40) | MAPTTACR1ALDH1A1LMNAGAA |
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-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | claimed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | claimed |
| CN-114728906-B | Novel chemical process for preparing the key intermediate 6-chloro-4- (4-fluoro-2-methylphenyl) pyridin-3-amine of NT-814 | 康堤医疗有限公司 | 2024-08-20 | — | — | CN | disclosed |
| CN-118496152-A | Novel chemical process for preparing the key intermediate 6-chloro-4- (4-fluoro-2-methylphenyl) pyridin-3-amine of NT-814 | 康堤医疗有限公司 | 2024-08-16 | — | — | CN | disclosed |
| EP-3067349-B1 | CARBOXYMETHYL PIPERIDINE DERIVATIVE | KISSEI PHARMACEUTICAL (JP) | 2018-02-28 | — | — | EP | disclosed |
| US-8822504-B2 | 5-[5-[2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanomethylpropanoylmethylamino]-4-(4-fluoro-2-methylphenyl)]-2-pyridinyl-2-alkyl-prolinamide as NK1 receptor antagonists | NERRE THERAPEUTICS LIMITED (GB) | 2014-09-02 | — | — | US | disclosed |
| US-20130143931-A1 | 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOMETHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS | GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) | 2013-06-06 | — | — | US | disclosed |
| CN-1852712-B | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE | 2010-06-09 | — | — | CN | disclosed |
| WO-2008128891-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-30 | — | — | WO | disclosed |
| CN-1852712-A | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | CN | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | 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 (1 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-20130143931-A1 | 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOMETHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS | TACR1, BDKRB2, TACR2 | MAPT 3967/4885TACR1 1/4885CES2 4114/4885 |
“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.