SCHEMBL408862

SCHEMBL408862

CC(C)(C)OC(=O)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.55
EPHX1 P07099 1/20 0.55
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GPR119 Q8TDV5 6/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL16881855 0.93 HPGD (0.60) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2625518 0.89 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22624018 0.89 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL32671892 0.87 HPGD (0.57) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL12384661 0.85 EPHX1 (0.57) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6402693 0.85 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL26984172 0.85 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL1262547 0.85 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL696090 0.84 HPGD (0.62) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL310117 0.84 GPR119 (0.67) HPGDRECQLEPHX1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 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
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US 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
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 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 (11 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 HPGD 864/4885RECQL 609/4885EPHX1 255/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC HPGD 2422/4885RECQL 788/4885EPHX1 3614/4885
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 HPGD 109/4885RECQL 4029/4885EPHX1 280/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 HPGD 3893/4885RECQL 858/4885EPHX1 3186/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 HPGD 1544/4885RECQL 1008/4885EPHX1 3405/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGD 18/4885RECQL 1346/4885EPHX1 1424/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 HPGD 301/4885RECQL 188/4885EPHX1 201/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 HPGD 1481/4885RECQL 3080/4885EPHX1 2197/4885
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 HPGD 738/4885RECQL 1908/4885EPHX1 2131/4885
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor DNPEP, NPEPPS, ANPEP HPGD 3331/4885RECQL 3400/4885EPHX1 2785/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN HPGD 1040/4885RECQL 1894/4885EPHX1 3016/4885

“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.