Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL31473741 | 1.00 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL10055039 | 0.90 | NPC1 (0.68) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL21054861 | 0.85 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL30518370 | 0.85 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL29816629 | 0.84 | ALDH1A1 (0.61) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL223680 | 0.84 | ALDH1A1 (0.61) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL14967225 | 0.82 | NPC1 (0.44) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL510167 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A | |
| SCHEMBL18429765 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19APP | |
| SCHEMBL510090 | 0.81 | NPC1 (0.63) | NPC1ALDH1A1CYP2D6CYP2C19RAB9A |
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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210230211-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) | 2021-07-29 | — | — | US | disclosed |
| US-20190202857-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) | 2019-07-04 | — | — | US | disclosed |
| US-10259839-B2 | 3-(4′-substituted)-benzyl-ether derivatives of pregnenolone | INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) | 2019-04-16 | — | — | US | disclosed |
| US-9732115-B2 | — | — | 2017-08-15 | — | — | US | disclosed |
| US-9732115-B2 | — | — | 2017-08-15 | — | — | US | disclosed |
| US-9732115-B2 | — | — | 2017-08-15 | — | — | US | disclosed |
| US-20170226148-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | INSERM (INSTITUT NAT DE LA SANTE ET DE LA RECH MEDICALE) (FR) | 2017-08-10 | — | — | US | disclosed |
| US-20170226148-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | INSERM (INSTITUT NAT DE LA SANTE ET DE LA RECH MEDICALE) (FR) | 2017-08-10 | — | — | US | disclosed |
| US-20170226148-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | INSERM (INSTITUT NAT DE LA SANTE ET DE LA RECH MEDICALE) (FR) | 2017-08-10 | — | — | US | disclosed |
| EP-3176176-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2017-06-07 | — | — | EP | disclosed |
| US-20070197584-A1 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-08-23 | — | — | US | disclosed |
| CN-101006091-A | Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-07-25 | — | — | CN | disclosed |
| CN-101006089-A | Aryl-substituted polycyclic amines, method for the production thereof and use thereof as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-07-25 | — | — | CN | disclosed |
| US-20070105904-A1 | 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| US-20070105904-A1 | 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| US-20070105904-A1 | 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1781663-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | Sanofi-Aventis Deutschland GmbH (DE) | 2007-05-09 | — | — | EP | disclosed |
| EP-1781656-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | Sanofi-Aventis Deutschland GmbH (DE) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018279-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-02-23 | — | — | WO | disclosed |
| WO-2006018280-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-02-23 | — | — | 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 (6 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-20070197584-A1 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | PAH, NAT1, AADAT | NPC1 1030/4885ALDH1A1 296/4885CYP2D6 21/4885 |
| US-20210230211-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | CYP21A2, CYP17A1, CYP11B1 | NPC1 257/4885ALDH1A1 2563/4885CYP2D6 64/4885 |
| US-20070105904-A1 | 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells | GPI, ERG28, MAN2A1 | NPC1 1201/4885ALDH1A1 3327/4885CYP2D6 375/4885 |
| US-10259839-B2 | 3-(4′-substituted)-benzyl-ether derivatives of pregnenolone | CYP21A2, CYP17A1, CYP11B1 | NPC1 255/4885ALDH1A1 2552/4885CYP2D6 62/4885 |
| US-20190202857-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | CYP21A2, CYP17A1, CYP11B1 | NPC1 257/4885ALDH1A1 2563/4885CYP2D6 64/4885 |
| US-20170226148-A1 | 3-(4'-SUBSTITUTED)-BENZYL-ETHER DERIVATIVES OF PREGNENOLONE | CYP21A2, CYP17A1, CYP11B1 | NPC1 257/4885ALDH1A1 2563/4885CYP2D6 64/4885 |
“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.