SCHEMBL1161579

SCHEMBL1161579

OC1CCC2(CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GRM5 P41594 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
SCHEMBL1161884 0.97 TSHR (0.44) TSHR
SCHEMBL16309022 0.91 TSHR (0.44) TSHR
SCHEMBL12687548 0.84
SCHEMBL8717863 0.83 ESR1 (0.35) TSHRGRM5
SCHEMBL26721949 0.80 ESR1 (0.36) TSHR
SCHEMBL23603998 0.74 TSHR (0.33) TSHR
SCHEMBL26721931 0.74
SCHEMBL2238894 0.73 ALDH1A1 (0.32)
SCHEMBL458413 0.73 ALDH1A1 (0.32)
SCHEMBL22116424 0.73 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007004226-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF MALE ERECTILE DYSFUNCTION (ED) DARLEY PHARMACUETICALS LTD. (IL) 2007-01-11 WO claimed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
EP-3845545-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-07-07 EP disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
EP-2461683-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2012-06-13 EP disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 WO disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 WO disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US disclosed
US-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith NESVADBA PETER 2006-07-06 US disclosed
EP-1343827-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH Ciba SC Holding AG (CH) 2003-09-17 EP disclosed
WO-2002048205-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 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 (7 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 TSHR 521/4885GRM5 411/4885
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 TSHR 452/4885GRM5 1484/4885
US-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 TSHR 4785/4885GRM5 1657/4885
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT TSHR 4117/4885GRM5 1469/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 TSHR 638/4885GRM5 438/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TSHR 4477/4885GRM5 1018/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT TSHR 4117/4885GRM5 1469/4885

“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.