SCHEMBL4715047

SCHEMBL4715047

COC(=O)CC(C)(C)c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
APP P05067 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL1524169 0.85 RAB9A (0.47) LMNAALDH1A1MAPTSMN1; SMN2CNR1
SCHEMBL433693 0.85 SHBG (0.50) LMNAALDH1A1CNR1CNR2HSD17B10
SCHEMBL18111500 0.84 KMT2A (0.45) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL13654326 0.84 MAPT (0.46) LMNAALDH1A1MAPTSMN1; SMN2CNR1
SCHEMBL2723561 0.84 ALDH1A1 (0.54) LMNAALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL156185 0.83 KCNN4 (0.50) LMNAALDH1A1MAPTSMN1; SMN2ALOX15
SCHEMBL1020012 0.82 SRD5A2 (0.49) LMNAALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL12419945 0.82 ALDH1A1 (0.46) LMNAALDH1A1MAPTSMN1; SMN2CNR1
SCHEMBL1021439 0.81 LMNA (0.42) LMNAALDH1A1MAPTSMN1; SMN2CNR1
SCHEMBL9887033 0.81 RAB9A (0.47) LMNAALDH1A1MAPTSMN1; SMN2GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475813-C 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2009-04-08 CN disclosed
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
EP-1517895-B1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-03-14 EP disclosed
US-7153968-B2 8-(biaryl)quinoline PDE4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US 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
CN-1738819-A 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2006-02-22 CN disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US 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
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP 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
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 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-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders PPP3CA, PTPA, PPP3CB LMNA 4846/4885ALDH1A1 972/4885MAPT 2114/4885
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C LMNA 3250/4885ALDH1A1 1085/4885MAPT 1400/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 LMNA 3735/4885ALDH1A1 583/4885MAPT 2478/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 LMNA 3873/4885ALDH1A1 400/4885MAPT 2177/4885

“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.