SCHEMBL3383513

SCHEMBL3383513

CCOC(=O)c1cnn(CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 2/20 0.46
MAPT P10636 3/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
JMJD6 Q6NYC1 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 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
SCHEMBL10615235 0.88 L3MBTL1 (0.46) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL7820903 0.88 L3MBTL1 (0.46) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL25153729 0.87 L3MBTL1 (0.49) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL28590111 0.87 L3MBTL1 (0.45) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL25911751 0.87 L3MBTL1 (0.66) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL1198518 0.85 L3MBTL1 (0.47) ALDH1A1HPGDL3MBTL1LMNACYP1A2
SCHEMBL1493352 0.85 L3MBTL1 (0.51) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL370569 0.85 L3MBTL1 (0.44) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL21281657 0.85 L3MBTL1 (0.44) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL12686028 0.85 L3MBTL1 (0.44) ALDH1A1HPGDL3MBTL1LMNACYP1A2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-19 US disclosed
US-12590086-B2 3-((1H-pyrazol-4-yl)methyl)-6′-(phenyl)-2H-(1,2′-bipyridin)-2-one derivatives and related compounds as GPR139 antagonists for use in a method of treatment of e.g. depression TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-03-31 US disclosed
CN-114761397-B Benzodiazepine derivatives for the treatment of Respiratory Syncytial Virus (RSV) infection 辉瑞公司 2024-11-05 CN disclosed
EP-4100396-B1 PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES BASF SE (DE) 2023-11-15 EP disclosed
US-20230357220-A1 3-((1H-PYRAZOL-4-YL)METHYL)-6′-(PHENYL)-2H-(1,2′-BIPYRIDIN)-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR USE IN A METHOD OF TREATMENT OF E.G. DEPRESSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-11-09 US disclosed
US-20230348435-A1 1-((1H-PYRAZOL-4-YL)METHYL)-3-(PHENYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR THE TREATMENT OF E.G. DEPRESSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-11-02 US disclosed
EP-3835290-B1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2023-09-06 EP disclosed
WO-2023164235-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
CN-116171276-A 3- ((1H-pyrazol-4-yl) methyl) -6'- (phenyl) -2H- [1,2' -bipyridin ] -2-one derivatives and related compounds as GRP139 antagonists in methods of treating E.G. depression 武田药品工业株式会社 2023-05-26 CN disclosed
US-20230145982-A1 PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES BASF SE (DE) 2023-05-11 US disclosed
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-10 US disclosed
EP-1364946-A1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-11-26 EP 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 (8 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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 ALDH1A1 160/4885HPGD 3341/4885KDM4E 1984/4885
US-20230145982-A1 PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES CYP4F3, ACOX3, PEX3 ALDH1A1 659/4885HPGD 381/4885KDM4E 3211/4885
US-12590086-B2 3-((1H-pyrazol-4-yl)methyl)-6′-(phenyl)-2H-(1,2′-bipyridin)-2-one derivatives and related compounds as GPR139 antagonists for use in a method of treatment of e.g. depression GPR139, OPRL1, GRIN2C ALDH1A1 1460/4885HPGD 3996/4885KDM4E 2433/4885
US-20230348435-A1 1-((1H-PYRAZOL-4-YL)METHYL)-3-(PHENYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR THE TREATMENT OF E.G. DEPRESSION GPR139, GPR142, HTR2C ALDH1A1 975/4885HPGD 2663/4885KDM4E 1314/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 ALDH1A1 821/4885HPGD 1095/4885KDM4E 719/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 ALDH1A1 279/4885HPGD 1897/4885KDM4E 1263/4885
US-20230357220-A1 3-((1H-PYRAZOL-4-YL)METHYL)-6′-(PHENYL)-2H-(1,2′-BIPYRIDIN)-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR USE IN A METHOD OF TREATMENT OF E.G. DEPRESSION GPR139, GPR142, OPRL1 ALDH1A1 1541/4885HPGD 3268/4885KDM4E 2141/4885
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression GPR139, OPRL1, GRIN2C ALDH1A1 1685/4885HPGD 4155/4885KDM4E 2423/4885

“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.