SCHEMBL5284450

SCHEMBL5284450

CCc1nnn(C)c1CC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 3/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.34
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5275084 0.84 GABRB3 (0.42) GABRB3GABRA2GABRB2MAOB
SCHEMBL23355730 0.84 ALDH1A1 (0.35) GABRB3GABRA2GABRB2MAOBGAA
SCHEMBL5284348 0.84 MAOB (0.44) GABRB3GABRA2GABRB2MAOBGAA
SCHEMBL23355651 0.84 ALDH1A1 (0.39) GABRB3MAOBGRIA1GRIA2GRIA3
SCHEMBL5280430 0.81 GRIA1 (0.34) GABRB3GABRA2GABRB2MAOBGRIA1
SCHEMBL5277438 0.81 MAOB (0.56) GABRB3GABRA2GABRB2MAOB
SCHEMBL5286967 0.81 GRIA1 (0.34) MAOBGRIA1GRIA2GRIA3GRIA4
SCHEMBL5279697 0.81 GABRB3 (0.33) GABRB3GABRA2GABRB2MAOB
SCHEMBL5277268 0.81 MAOB (0.49) GABRB3MAOB
SCHEMBL5278588 0.80

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287341-A1 GENETICALLY MODIFIED CELL LINES EXPRESSING AN EXOGENOUS SUBSTANCE AND USES THEREOF SIGILON THERAPEUTICS, INC. 2023-09-14 US disclosed
WO-2016123412-A1 ANTIBODY DRUG CONJUGATES SORRENTO THERAPEUTICS, INC. (US) 2016-08-04 WO disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 US disclosed
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 US disclosed
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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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

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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GABRB3 353/4885GABRA2 739/4885GABRB2 349/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 GABRB3 465/4885GABRA2 992/4885GABRB2 517/4885
US-20230287341-A1 GENETICALLY MODIFIED CELL LINES EXPRESSING AN EXOGENOUS SUBSTANCE AND USES THEREOF ZFX, XPA, CTCF GABRB3 833/4885GABRA2 1212/4885GABRB2 536/4885
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 GABRB3 2713/4885GABRA2 2576/4885GABRB2 2707/4885
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GABRB3 353/4885GABRA2 739/4885GABRB2 349/4885
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 GABRB3 353/4885GABRA2 739/4885GABRB2 349/4885

“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.