SCHEMBL1007010

SCHEMBL1007010

CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.40
CRBN Q96SW2 3/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
NR1H2 P55055 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
LIPE Q05469 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
RORC P51449 1/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4718269 0.89 NR1H2 (0.39) DDB1CRBNUSP2SMN1; SMN2ESR2
SCHEMBL17868613 0.89 DDB1 (0.41) DDB1CRBNUSP2SMN1; SMN2ESR2
SCHEMBL21995232 0.86 NR1H2 (0.39) DDB1CRBNUSP2SMN1; SMN2NR1H2
SCHEMBL22056023 0.86 NR1H2 (0.39) DDB1CRBNUSP2SMN1; SMN2NR1H2
SCHEMBL2123557 0.84 USP2 (0.41) DDB1CRBNUSP2SMN1; SMN2ESR2
SCHEMBL5223609 0.84 USP2 (0.41) DDB1CRBNUSP2SMN1; SMN2ESR2
SCHEMBL17868660 0.84 DDB1 (0.39) DDB1CRBNUSP2SMN1; SMN2ESR2
SCHEMBL16221362 0.83 USP2 (0.41) DDB1CRBNUSP2SMN1; SMN2ESR2
SCHEMBL16220613 0.83 USP2 (0.41) DDB1CRBNUSP2SMN1; SMN2ESR2
SCHEMBL173439 0.82 PDE4B (0.41) DDB1CRBNUSP2SMN1; SMN2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596074-B1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-12-14 EP disclosed
EP-3596074-B1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2022-12-14 EP disclosed
CN-110167937-B Bicyclic bis-heteroaryl derivatives as modulators of protein aggregation UCB生物制药私人有限公司 2022-03-29 CN disclosed
EP-3573986-B1 BICYCLIC BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-05-26 EP disclosed
EP-3573986-B1 BICYCLIC BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-05-26 EP disclosed
US-10968225-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA 2021-04-06 US disclosed
US-10968225-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA 2021-04-06 US disclosed
US-10889584-B2 Bicyclic bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-01-12 US disclosed
US-10889584-B2 Bicyclic bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-01-12 US disclosed
US-20200369663-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2020-11-26 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-2086643-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE Glaxo Group Limited (GB) 2009-08-12 EP disclosed
EP-1589969-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-08-13 EP disclosed
WO-2008053031-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
WO-2008053031-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 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 (4 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-20200369663-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC1 DDB1 3943/4885CRBN 3141/4885USP2 3687/4885
US-10968225-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC1 DDB1 3943/4885CRBN 3141/4885USP2 3687/4885
US-10889584-B2 Bicyclic bis-heteroaryl derivatives as modulators of protein aggregation PARK7, HTT, SNCA DDB1 373/4885CRBN 139/4885USP2 476/4885
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DDB1 644/4885CRBN 4321/4885USP2 696/4885

“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.