SCHEMBL855608

SCHEMBL855608

CC(C)(C)CCn1cccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
FDPS P14324 1/20 0.36
TSHR P16473 1/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL12374993 0.88 DAO (0.39) DAOFDPSTSHRTHRBLMNA
SCHEMBL21996409 0.83 FDPS (0.38) DAOFDPSTSHRTHRBLMNA
SCHEMBL13715227 0.83 DAO (0.36) DAOFDPSTSHRTHRBLMNA
SCHEMBL18780940 0.83 DAO (0.36) DAOFDPSTSHRTHRBLMNA
SCHEMBL19992033 0.78 LMNA (0.38) DAOFDPSTSHRTHRBLMNA
SCHEMBL5713341 0.78 DAO (0.50) DAOFDPSTSHRTHRBLMNA
SCHEMBL309198 0.77 FDPS (0.38) DAOFDPSTSHRNOS1NOS3
SCHEMBL33257 0.77
SCHEMBL23920175 0.76 DAO (0.37) DAOFDPSTSHRTHRBLMNA
SCHEMBL28667189 0.75 LMNA (0.37) DAOFDPSTSHRTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212019-A1 PYRIMIDINONE-CONTAINING 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2023-11-02 WO disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-08-13 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 US disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 US disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
WO-2007022241-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 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 (14 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-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG DAO 2092/4885FDPS 3302/4885TSHR 1514/4885
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 DAO 181/4885FDPS 187/4885TSHR 3792/4885
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C DAO 1617/4885FDPS 4637/4885TSHR 773/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 DAO 3785/4885FDPS 1294/4885TSHR 3443/4885
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C DAO 1617/4885FDPS 4637/4885TSHR 773/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 DAO 3785/4885FDPS 1294/4885TSHR 3443/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 DAO 1007/4885FDPS 604/4885TSHR 1658/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA DAO 3562/4885FDPS 3314/4885TSHR 339/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 DAO 2430/4885FDPS 2178/4885TSHR 2185/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 DAO 2705/4885FDPS 769/4885TSHR 1082/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI DAO 931/4885FDPS 577/4885TSHR 2110/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 DAO 2430/4885FDPS 2178/4885TSHR 2185/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 DAO 2903/4885FDPS 3133/4885TSHR 313/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG DAO 2741/4885FDPS 3677/4885TSHR 1315/4885

“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.