Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.58 |
| ▸ | HTR2C | P28335 | 6/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.43 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.43 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.43 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6711320 | 0.91 | HTR2A (0.58) | HTR2AHTR2CCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL6716207 | 0.89 | HTR2A (0.58) | HTR2AHTR2CSYKAURKBINCENP | |
| SCHEMBL6712409 | 0.88 | HTR2A (0.57) | HTR2AHTR2CSYKAURKBINCENP | |
| SCHEMBL6713595 | 0.88 | HTR2A (0.57) | HTR2AHTR2CSYKAURKBINCENP | |
| SCHEMBL6713777 | 0.86 | HTR2A (0.56) | HTR2AHTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6711423 | 0.86 | HTR2A (0.55) | HTR2AHTR2CSYKAURKBINCENP | |
| SCHEMBL6713860 | 0.86 | HTR2A (0.45) | HTR2AHTR2CCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6718518 | 0.86 | HTR2A (0.62) | HTR2AHTR2CCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL26838992 | 0.86 | HTR2A (0.77) | HTR2AHTR2CKMT2AHTR1AHTR1D | |
| SCHEMBL6712406 | 0.85 | HTR2A (0.54) | HTR2AHTR2CSYKAURKBINCENP |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040209870-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | ENNIS MICHAEL DALTON (US) | 2004-10-21 | — | — | US | claimed |
| US-6734301-B2 | 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY | 2004-05-11 | — | — | US | claimed |
| US-20020002161-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | PHARMACIA & UPJOHN COMPANY | 2002-01-03 | — | — | US | claimed |
| US-20040209870-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | ENNIS MICHAEL DALTON (US) | 2004-10-21 | — | — | US | disclosed |
| US-6734301-B2 | 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY | 2004-05-11 | — | — | US | disclosed |
| EP-1328525-A2 | 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 2003-07-23 | — | — | EP | disclosed |
| US-20020002161-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | PHARMACIA & UPJOHN COMPANY | 2002-01-03 | — | — | US | disclosed |
| WO-2001072752-A2 | 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 2001-10-04 | — | — | 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-20020002161-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | HTR1D, HTR1A, HTR1E | HTR2A 18/4885HTR2C 7/4885CYP1A1 70/4885 |
| US-20040209870-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | HCRTR2, NR2C2, RCOR3 | HTR2A 1403/4885HTR2C 553/4885CYP1A1 702/4885 |
“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.