SCHEMBL74006

SCHEMBL74006

CC(C)(C)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
FDPS P14324 1/20 0.52
PNMT P11086 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ESR1 P03372 1/20 0.46
SIGMAR1 Q99720 6/20 0.44
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PYCR1 P32322 1/20 0.42
CYP2D6 P10635 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL2303980 0.84 IDO1 (0.50) IDO1FDPSPNMTTAAR1SIGMAR1
SCHEMBL9917351 0.83 ESR1 (0.43) IDO1FDPSESR1CYP1A2TSHR
SCHEMBL11251872 0.83 FDPS (0.58) IDO1FDPSPNMTTAAR1SIGMAR1
SCHEMBL20609656 0.83 ESR1 (0.43) IDO1FDPSPNMTTAAR1ESR1
SCHEMBL12215710 0.83 SLC6A2 (0.61) IDO1FDPSPNMTTAAR1SIGMAR1
SCHEMBL9917301 0.83 CYP3A4 (0.48) IDO1FDPSESR1SIGMAR1SLC6A2
SCHEMBL4452262 0.81 CA2 (0.54) FDPSESR1CYP1A2TSHRMEN1
SCHEMBL11955043 0.81 ESR1 (0.42) IDO1FDPSPNMTESR1SLC6A2
SCHEMBL21662215 0.81 ESR1 (0.42) IDO1FDPSPNMTTAAR1ESR1
SCHEMBL9917330 0.81 ESR1 (0.42) IDO1FDPSPNMTTAAR1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-11684609-B2 Compounds and methods for treating an epileptic disorder THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-27 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. 2022-02-17 US disclosed
US-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-11-25 US disclosed
US-10988475-B2 Agonists of the apelin receptor and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-04-27 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US disclosed
US-7488827-B2 Muscle relaxants; respiratory system disorders; asthma;COPD; emphysema; bronchitis GLAXO GROUP LIMITED (GB) 2009-02-10 US disclosed
US-7476653-B2 Using growth hormone secretagague receptors; endocrime disorders; gastrointestinal disorders; cardiovascular disorders; central nervous system disorders; antiproliferative agents; antiinflammatory agents TRANZYME PHARMA, INC. (CA) 2009-01-13 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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 (15 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-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 IDO1 2785/4885FDPS 3729/4885PNMT 215/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 IDO1 3923/4885FDPS 1498/4885PNMT 3893/4885
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR IDO1 1621/4885FDPS 2908/4885PNMT 1520/4885
US-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 IDO1 2418/4885FDPS 4674/4885PNMT 2923/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 IDO1 947/4885FDPS 2008/4885PNMT 102/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 IDO1 3923/4885FDPS 1498/4885PNMT 3893/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 IDO1 1523/4885FDPS 1287/4885PNMT 3802/4885
US-10988475-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 IDO1 2418/4885FDPS 4674/4885PNMT 2923/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 IDO1 2403/4885FDPS 2778/4885PNMT 1911/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR IDO1 3963/4885FDPS 2992/4885PNMT 2581/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 IDO1 1240/4885FDPS 3826/4885PNMT 348/4885
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 IDO1 2418/4885FDPS 4674/4885PNMT 2923/4885
US-11684609-B2 Compounds and methods for treating an epileptic disorder GABRE, SLC6A1, GABBR1 IDO1 2818/4885FDPS 1416/4885PNMT 124/4885
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 IDO1 2659/4885FDPS 3925/4885PNMT 1370/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 IDO1 2785/4885FDPS 3729/4885PNMT 215/4885

“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.