SCHEMBL343062

SCHEMBL343062

O=C(O)C1(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 2/20 0.64
APP P05067 5/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2D6 P10635 1/20 0.51
CYP3A4 P08684 3/20 0.47
KMT2A Q03164 2/20 0.47
TET3 O43151 1/20 0.47
FBXL19 Q6PCT2 1/20 0.47
CXXC5 Q7LFL8 1/20 0.47
TET1 Q8NFU7 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
CXXC4 Q9H2H0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
HSD11B1 P28845 1/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
HDAC1 Q13547 1/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1C4 P17516 1/20 0.45

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
SCHEMBL4808999 0.90 AKR1C1 (0.75) AKR1C1KMT2AHSD11B1HDAC1
SCHEMBL31016196 0.87 AKR1C1 (0.83) AKR1C1CYP2C19KMT2ATET3FBXL19
SCHEMBL6391 0.87 AKR1C1 (0.83) AKR1C1CYP2C19KMT2ATET3FBXL19
Hydrochloric Acid SCHEMBL3866423 0.85 AKR1C1 (0.79) AKR1C1CYP2C19KMT2ATET3FBXL19
SCHEMBL30662077 0.84 AKR1C1 (0.46) AKR1C1HSD11B1HDAC1
SCHEMBL15912397 0.84 CYP2C19 (0.50) AKR1C1APPCYP2C19CYP2C9CYP2D6
SCHEMBL9939471 0.81 AKR1C1 (0.47) AKR1C1APPCYP2C19CYP2C9CYP2D6
SCHEMBL11665752 0.81 AKR1C1 (0.88) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL19881196 0.81 PRKAB2 (0.52) AKR1C1APPCYP2C19CYP2C9CYP2D6
SCHEMBL27851854 0.80 MAPT (0.50) AKR1C1CYP2C9KMT2A

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 34 patents — showing the first 20. 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 claimed
EP-1633306-A4 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-05-16 EP claimed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP claimed
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 claimed
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 claimed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO claimed
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 claimed
EP-2648726-B1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2018-04-04 EP disclosed
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9556133-B2 Polycyclic LPA1 antagonist and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
CN-103596566-A Polycyclic LPA1 antagonists and uses thereof AMIRA PHARMACEUTICALS INC 2014-02-19 CN disclosed
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
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-1824858-A2 CYTOTOXIC AGENTS COMPRISING NEW TAXANES Aventis Pharma S.A. (FR) 2007-08-29 EP disclosed
WO-2006061258-A2 CYTOTOXIC AGENTS COMPRISING NEW TAXANES AVENTIS PHARMA S.A. (FR) 2006-06-15 WO 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
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
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
US-3947588-A Cyclopropane carboxylic acid derivatives for lowering the level of ketone bodies SCHERING CORPORATION (US) 1976-03-30 US 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-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 AKR1C1 1523/4885APP 3084/4885CYP2C19 3769/4885

“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.