Sugi Predict

Sugi Predict / Compounds / SCHEMBL8562128

SCHEMBL8562128

SCHEMBL8562128

COc1ccc(CN2CCC(Br)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.49
▸ CMA1 P23946 1/20 0.49
▸ GRM2 Q14416 1/20 0.48
▸ PTGIR P43119 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ CHKA P35790 1/20 0.45
▸ TNKS O95271 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL8562132 1.00 GAA (0.56) GAASIGMAR1CMA1GRM2PTGIR
SCHEMBL2016909 0.90 GAA (0.49) GAASIGMAR1CMA1GRM2PTGIR
SCHEMBL16423951 0.84 GAA (0.51) GAASIGMAR1CMA1GRM2PTGIR
SCHEMBL8562278 0.83 SIGMAR1 (0.55) GAASIGMAR1CMA1HRH3ALDH1A1
SCHEMBL8562273 0.83 SIGMAR1 (0.55) GAASIGMAR1CMA1HRH3ALDH1A1
SCHEMBL16874550 0.83 KCNH2 (0.51) SMN1; SMN2LMNA
SCHEMBL16885924 0.82 GRM2 (0.43) GRM2POLBALDH1A1
SCHEMBL1542776 0.81 ALDH1A1 (0.49) SIGMAR1GRM2ALDH1A1
SCHEMBL4510850 0.81 GAA (0.48) GAACMA1GRM2PTGIRMMP1
SCHEMBL8564961 0.80 ALDH1A1 (0.53) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 — — US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 — — US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 — — CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 — — CN disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 — — US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 — — US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 — — US disclosed
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 — — US disclosed
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 — — US disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 — — EP disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 — — US disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 — — WO disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 — — US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 — — US disclosed
WO-2014202458-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2014-12-24 — — WO disclosed
WO-2014202458-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2014-12-24 — — WO disclosed
CN-1060778-C Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 2001-01-17 — — CN disclosed
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 — — US disclosed
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 — — CN disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 — — EP 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 (6 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-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 GAA 2007/4885SIGMAR1 764/4885CMA1 1862/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A GAA 1338/4885SIGMAR1 76/4885CMA1 4299/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GAA 2007/4885SIGMAR1 764/4885CMA1 1862/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GAA 2007/4885SIGMAR1 764/4885CMA1 1862/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A GAA 1338/4885SIGMAR1 76/4885CMA1 4299/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 GAA 2007/4885SIGMAR1 764/4885CMA1 1862/4885

“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.