SCHEMBL516158

SCHEMBL516158

CC(C)(S)CSC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL823100 0.72 HTR1A (0.36) HTR1ADRD2HTR2AHTR7
SCHEMBL11573609 0.69
SCHEMBL23019835 0.67 HTR1A (0.33) HTR1ADRD2HTR2AHTR7
SCHEMBL7247165 0.67 HTR1A (0.33) HTR1ADRD2HTR2AHTR7
Fluoride SCHEMBL775570 0.65 HTR1A (0.32) HTR1ADRD2HTR2AHTR7
SCHEMBL5494090 0.65
SCHEMBL22484531 0.65
SCHEMBL21190314 0.65 HTR1A (0.32) HTR1ADRD2HTR2AHTR7
SCHEMBL2517119 0.63 HTR1A (0.31) HTR1ADRD2HTR2AHTR7
SCHEMBL3391323 0.62 HTR1A (0.56) HTR1ADRD2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
US-9174967-B2 Substituted pyrazole-containing compounds and their use as pesticides BASF SE (DE) 2015-11-03 US disclosed
US-9169253-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-27 US disclosed
US-20150250175-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS BASF SE (DE) 2015-09-10 US disclosed
US-20150250173-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS BASF SE (DE) 2015-09-10 US disclosed
US-20150237858-A1 METHOD OF CONTROLLING RYANODINE-MODULATOR INSECTICIDE RESISTANT INSECTS BASF SE (DE) 2015-08-27 US disclosed
US-9096583-B2 Substituted 1,2,5-oxadiazole compounds and their use as herbicides II BASF SE (DE) 2015-08-04 US disclosed
US-9044016-B2 N-thio-anthranilamide compounds and their use as pesticides BASF SE (DE) 2015-06-02 US disclosed
US-20150065343-A1 Acrylamide compounds for combating invertebrate pests BASF SE (DE) 2015-03-05 US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2019825-B9 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 US disclosed
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AND THE WASHINGTON UNIVERSITY 2009-12-17 US disclosed
US-7528173-B2 Plasma carboxypeptidase B inhibitors SCHERING AKTIENGESELLSHAFT (DE) 2009-05-05 US disclosed
US-7393869-B2 Methods of using thiazolidine derivatives to treat cancer or inflammation QLT INC. (CA) 2008-07-01 US disclosed
US-20060247213-A1 Plasma carboxypeptidase b inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 US disclosed
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-19 US disclosed
US-20060183782-A1 Methods of using thiazolidine derivatives to treat cancer or inflammation QLT INC. (CA) 2006-08-17 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 (12 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 HTR1A 1326/4885DRD2 346/4885HTR2A 2883/4885
US-20150250173-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS AADAC, ARSA, SIRT7 HTR1A 4811/4885DRD2 3215/4885HTR2A 4813/4885
US-20060183782-A1 Methods of using thiazolidine derivatives to treat cancer or inflammation PTPN2, PTPRCAP, PTPN5 HTR1A 4379/4885DRD2 4846/4885HTR2A 3000/4885
US-20150065343-A1 Acrylamide compounds for combating invertebrate pests AAAS, ACR, ATL3 HTR1A 1241/4885DRD2 2066/4885HTR2A 957/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF HTR1A 1711/4885DRD2 1703/4885HTR2A 3492/4885
US-20150250175-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS MCU, AGK, MLYCD HTR1A 2953/4885DRD2 3109/4885HTR2A 1701/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 HTR1A 2147/4885DRD2 4547/4885HTR2A 2373/4885
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H HTR1A 3378/4885DRD2 3199/4885HTR2A 4345/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 HTR1A 1818/4885DRD2 4346/4885HTR2A 2940/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 HTR1A 3926/4885DRD2 2723/4885HTR2A 4542/4885
US-20150237858-A1 METHOD OF CONTROLLING RYANODINE-MODULATOR INSECTICIDE RESISTANT INSECTS RYR2, RYR1, CRY1 HTR1A 2051/4885DRD2 1711/4885HTR2A 1774/4885
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof TGM2, TGM3, TGM1 HTR1A 3595/4885DRD2 4884/4885HTR2A 3436/4885

“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.