SCHEMBL61590

SCHEMBL61590

CCc1cccc(CC)c1B(O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.54
GABRB2 P47870 4/20 0.54
LIPG Q9Y5X9 2/20 0.41
LPL P06858 1/20 0.39
PDK2 Q15119 1/20 0.38
DAO P14920 3/20 0.36
CLCN2 P51788 1/20 0.35
DDO Q99489 1/20 0.35
MGLL Q99685 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL31200489 0.87 GABRA1 (0.52) GABRA1GABRB2DAODDO
SCHEMBL466434 0.87 GABRA1 (0.46) GABRA1GABRB2LIPGSMN1; SMN2ALDH1A1
SCHEMBL29574977 0.82 CLCN2 (0.50) GABRA1GABRB2CLCN2ALDH1A1
SCHEMBL3789864 0.77 ENPP2 (0.41) GABRA1GABRB2LIPGPDK2LMNA
SCHEMBL3784531 0.76 GABRA1 (0.45) GABRA1GABRB2LIPGPDK2DAO
SCHEMBL410387 0.75 LIPG (0.61) GABRA1GABRB2LIPGLPLMGLL
SCHEMBL29468961 0.75 LIPG (0.61) GABRA1GABRB2LIPGLPLMGLL
SCHEMBL1762931 0.75 GABRA1 (0.48) GABRA1GABRB2LIPGLPLDAO
SCHEMBL3785283 0.75 GABRA1 (0.48) GABRA1GABRB2LIPGLPLDAO
SCHEMBL31075133 0.74 LIPG (0.70) LIPGLPLMGLL

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
WO-2025124544-A1 3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPANE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 华润医药研究院(深圳)有限公司 2025-06-19 WO disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-109021022-B Luminescent diazabenzimidazole carbene metal complexes UDC 爱尔兰有限责任公司 2021-04-16 CN disclosed
US-20170331054-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES UDC IRELAND LTD (IE) 2017-11-16 US disclosed
EP-3239161-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES UDC Ireland Limited (IE) 2017-11-01 EP disclosed
EP-3239161-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES UDC Ireland Limited (IE) 2017-11-01 EP disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
WO-2005110991-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 WO disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170331054-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES OCIAD1, OCIAD2, CACNA1D GABRA1 258/4885GABRB2 141/4885LIPG 751/4885
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 GABRA1 1866/4885GABRB2 2591/4885LIPG 3128/4885
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GABRA1 919/4885GABRB2 339/4885LIPG 1372/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 GABRA1 1186/4885GABRB2 2657/4885LIPG 3280/4885

“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.