SCHEMBL4716099

SCHEMBL4716099

CCOC(=O)C1(Cc2ccc(Br)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.55
PROKR1 Q8TCW9 2/20 0.55
POLB P06746 2/20 0.53
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28840734 0.97 FPR2 (0.55) FPR2PROKR1POLBALDH1A1KMT2A
SCHEMBL2761098 0.94 FPR2 (0.57) FPR2PROKR1POLBALDH1A1KMT2A
SCHEMBL5739072 0.88 KMT2A (0.52) FPR2PROKR1POLBALDH1A1KMT2A
SCHEMBL6311126 0.87 POLB (0.54) POLBALDH1A1KMT2AKDM4ELMNA
SCHEMBL3718479 0.85 KDM4E (0.64) POLBALDH1A1KMT2AKDM4ELMNA
SCHEMBL27350053 0.85 MEN1 (0.53) POLBALDH1A1KMT2AKDM4ELMNA
SCHEMBL6627628 0.82 KDM4E (0.64) POLBALDH1A1KMT2AKDM4ELMNA
SCHEMBL25713297 0.81 POLB (0.52) POLBALDH1A1KMT2AKDM4ELMNA
SCHEMBL6627953 0.81 ALDH1A1 (0.70) POLBALDH1A1KMT2AKDM4ELMNA
SCHEMBL14074899 0.81 KDM4E (0.62) POLBALDH1A1KMT2AKDM4ELMNA

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 FPR2 4450/4885PROKR1 4847/4885POLB 2552/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 FPR2 1813/4885PROKR1 1425/4885POLB 1341/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 FPR2 1906/4885PROKR1 1649/4885POLB 1804/4885

“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.