SCHEMBL680662

SCHEMBL680662

CC(C)(C)N1CCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL681147 0.86 GRIN2D (0.31) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL680859 0.84 GRIN2D (0.43) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL20434844 0.84
SCHEMBL21555138 0.79
SCHEMBL680047 0.78 CRHBP (0.39) CRHBPCRHR2
SCHEMBL22098607 0.78 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12445308 0.78 GRIN2D (0.35) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL681253 0.78 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21191637 0.78 CNR2 (0.31)
SCHEMBL22024377 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491938-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2024-05-24 CN disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF GENENTECH, INC. (US) 2023-10-05 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080027058-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-01-31 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 GRIN2D 4222/4885GRIN3B 4779/4885CHRM2 4770/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 GRIN2D 3881/4885GRIN3B 3632/4885CHRM2 4725/4885
US-20080027058-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF23 GRIN2D 4080/4885GRIN3B 2868/4885CHRM2 4807/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS GRIN2D 4822/4885GRIN3B 3867/4885CHRM2 4847/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GRIN2D 4637/4885GRIN3B 4657/4885CHRM2 4874/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 GRIN2D 4857/4885GRIN3B 4747/4885CHRM2 3578/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GRIN2D 4763/4885GRIN3B 3784/4885CHRM2 3272/4885
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 GRIN2D 3264/4885GRIN3B 3356/4885CHRM2 4485/4885
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 GRIN2D 3175/4885GRIN3B 1680/4885CHRM2 4878/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 GRIN2D 301/4885GRIN3B 325/4885CHRM2 88/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GRIN2D 4797/4885GRIN3B 3965/4885CHRM2 3190/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 GRIN2D 4880/4885GRIN3B 4768/4885CHRM2 4492/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 GRIN2D 197/4885GRIN3B 396/4885CHRM2 3941/4885
US-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF NONO, PNPO, KMO GRIN2D 511/4885GRIN3B 823/4885CHRM2 3641/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2D 9/4885GRIN3B 5/4885CHRM2 526/4885

“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.