SCHEMBL4718115

SCHEMBL4718115

COC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.55
SLC6A3 Q01959 4/20 0.55
SLC6A2 P23975 5/20 0.53
HRH3 Q9Y5N1 2/20 0.46
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC4 P56524 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
KDM1A O60341 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM1B Q8NB78 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
SCHEMBL15091796 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2HRH3CYP3A4
SCHEMBL16278194 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2HRH3CYP3A4
SCHEMBL4718112 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2HRH3CYP3A4
SCHEMBL1100407 0.84 DEGS1 (0.50) SLC6A4SLC6A3SLC6A2CYP3A4ALDH1A1
SCHEMBL15430483 0.84 DEGS1 (0.50) SLC6A4SLC6A3SLC6A2CYP3A4ALDH1A1
SCHEMBL16229142 0.84 DEGS1 (0.50) SLC6A4SLC6A3SLC6A2CYP3A4ALDH1A1
SCHEMBL14097153 0.84 ALDH1A1 (0.63) SLC6A4SLC6A3SLC6A2CYP3A4ALDH1A1
SCHEMBL15430481 0.84 DEGS1 (0.50) SLC6A4SLC6A3SLC6A2CYP3A4ALDH1A1
SCHEMBL16585071 0.83 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2HRH3
SCHEMBL2359242 0.83 MAPT (0.56) SLC6A4SLC6A3SLC6A2ALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565464-B1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-07-23 EP disclosed
US-7342024-B2 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROST CANADA LTD. (CA) 2008-03-11 US disclosed
US-7238706-B2 4-oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US disclosed
EP-1633306-A4 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-05-16 EP disclosed
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders MERCK & CO., INC. 2006-11-16 US disclosed
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-03-16 US disclosed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 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 (3 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-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders PPP3CA, PTPA, PPP3CB SLC6A4 319/4885SLC6A3 283/4885SLC6A2 344/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 SLC6A4 1268/4885SLC6A3 2344/4885SLC6A2 2462/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 SLC6A4 1094/4885SLC6A3 2075/4885SLC6A2 2218/4885

“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.