Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | F9 | P00740 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19553362 | 0.83 | NPC1 (0.52) | CYP1A2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL28170860 | 0.82 | MAPT (0.47) | SMN1; SMN2NPC1RAB9ALMNAKMT2A | |
| SCHEMBL12682063 | 0.81 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2KMT2ASLC6A3CYP2D6 | |
| SCHEMBL10362252 | 0.80 | ALDH1A1 (0.50) | CYP1A2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL5566856 | 0.80 | ALDH1A1 (0.50) | CYP1A2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL23303256 | 0.80 | CYP1A2 (0.51) | CYP1A2SMN1; SMN2KMT2ASLC6A3CYP2D6 | |
| SCHEMBL27446892 | 0.80 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2LMNAKMT2ASLC6A3 | |
| SCHEMBL2836235 | 0.80 | SMN1; SMN2 (0.48) | CYP1A2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL2836233 | 0.80 | SMN1; SMN2 (0.48) | CYP1A2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL21462739 | 0.78 | TDP1 (0.55) | CYP1A2SMN1; SMN2LMNAKMT2AKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10590140-B2 | Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-03-17 | — | — | US | disclosed |
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |
| US-20190144455-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-05-16 | — | — | US | disclosed |
| EP-3452475-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-03-13 | — | — | EP | disclosed |
| WO-2017191304-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-09 | — | — | 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-20190144455-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | CACNA1G, CACNA1B, CACNA1D | CYP1A2 607/4885SMN1; SMN2 2290/4885NPC1 635/4885 |
| US-10590140-B2 | Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions | CACNA1G, CACNA1B, CACNA1D | CYP1A2 607/4885SMN1; SMN2 2290/4885NPC1 635/4885 |
“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.