Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5765559 | 0.89 | MTNR1A (0.43) | CYP1A2TSHRHSD17B10MAPTGAA | |
| SCHEMBL27589273 | 0.86 | MAPT (0.43) | CYP1A2TSHRHSD17B10MAPTGAA | |
| SCHEMBL11627496 | 0.86 | MTNR1A (0.57) | CYP1A2TSHRHSD17B10MAPTALDH1A1 | |
| SCHEMBL8905113 | 0.85 | EGFR (0.49) | HSD17B10MAPTGAAMTNR1ABRD4 | |
| SCHEMBL4020604 | 0.83 | CYP1A2 (0.56) | CYP1A2TSHRHSD17B10MAPTGAA | |
| SCHEMBL6713810 | 0.83 | PNMT (0.47) | CYP1A2MAPTGAAALDH1A1MEN1 | |
| SCHEMBL7416734 | 0.80 | GAA (0.51) | MAPTGAAMEN1KMT2AMTNR1A | |
| SCHEMBL11641836 | 0.80 | PNMT (0.50) | CYP1A2TSHRHSD17B10GAAALDH1A1 | |
| SCHEMBL21822151 | 0.79 | PNMT (0.40) | CYP1A2TSHRHSD17B10KMT2A | |
| SCHEMBL5152873 | 0.79 | GAA (0.57) | HSD17B10MAPTGAAMTNR1ABRD4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776905-B2 | including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-17 | — | — | US | disclosed |
| US-7645789-B2 | Indole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-12 | — | — | US | disclosed |
| US-20090131492-A1 | Indole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED | 2009-05-21 | — | — | US | disclosed |
| US-20070244159-A1 | including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency | VERTEX PHARMACEUTICALS INCORPORATED | 2007-10-18 | — | — | US | disclosed |
| 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 |
| CN-1418216-A | Novel 2,3,4, 5-tetrahydro-1H- [1,4] diaza * o [1, 7-a ] indole compounds | UPJOHN CO (US) | 2003-05-14 | — | — | CN | 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 (4 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 | CYP1A2 105/4885TSHR 1142/4885HSD17B10 1041/4885 |
| US-20090131492-A1 | Indole derivatives as CFTR modulators | CFTR, ABCB1, ABCB11 | CYP1A2 1231/4885TSHR 1999/4885HSD17B10 1738/4885 |
| US-20040209870-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | HCRTR2, NR2C2, RCOR3 | CYP1A2 802/4885TSHR 282/4885HSD17B10 1687/4885 |
| US-20070244159-A1 | including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency | CFTR, ABCD3, ABCC2 | CYP1A2 1369/4885TSHR 2243/4885HSD17B10 1729/4885 |
“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.