SCHEMBL5144435

SCHEMBL5144435

CC(O)Cc1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NOS2 P35228 1/20 0.37
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
GRM2 Q14416 1/20 0.35
RAB9A P51151 5/20 0.34
FDPS P14324 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
NPC1 O15118 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL30305975 1.00 GBA1 (0.43) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL14464977 1.00 GBA1 (0.43) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL5344274 0.84 GBA1 (0.46) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL23158732 0.84 GBA1 (0.41) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL4769838 0.81 GBA1 (0.41) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL27859444 0.79 GBA1 (0.39) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL20360950 0.79 GBA1 (0.39) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL1818006 0.78 GBA1 (0.41) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL24247763 0.78 GBA1 (0.41) GBA1ESR1ESR2ALDH1A1KDM4E
SCHEMBL30630352 0.77 ESR1 (0.42) ESR1ESR2NOS2MBOAT4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
CN-116075516-A Benzodiazepine derivatives useful for the treatment of respiratory syncytial virus infection 辉瑞大药厂 2023-05-05 CN disclosed
WO-2022008911-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION ReViral Limited (GB) 2022-01-13 WO disclosed
EP-1562588-A4 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-10-31 EP disclosed
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP disclosed
EP-1565466-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 Merck & Co., Inc. (US) 2005-08-24 EP disclosed
EP-1562588-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2005-08-17 EP disclosed
EP-1436290-A1 ALKYNE-ARYL-NAPHTHYRIDIN-4(1H)-0NE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITOR Merck Frosst Canada & Co. (CA) 2004-07-14 EP disclosed
WO-2004048377-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 MERCK & CO., INC. (US) 2004-06-10 WO disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
WO-2004045508-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-06-03 WO disclosed
EP-1397359-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-03-17 EP disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 WO disclosed
WO-2002094823-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-11-28 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 (1 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-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION CNR1, CNR2, SIGMAR1 GBA1 2862/4885ESR1 567/4885ESR2 264/4885

“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.