SCHEMBL435425

SCHEMBL435425

CC(C(=O)O)C1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.47
▸ DRD3 P35462 4/20 0.47
▸ DRD1 P21728 3/20 0.47
▸ DRD4 P21917 3/20 0.47
▸ DRD5 P21918 3/20 0.47
▸ CXCR2 P25025 2/20 0.44
▸ CXCR1 P25024 1/20 0.43
▸ DGAT1 O75907 1/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL660963 1.00 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL13009633 0.87 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2698102 0.85 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2698104 0.85 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL603381 0.84 DRD2 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22444698 0.83 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3652025 0.78 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3652027 0.78 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3128608 0.77 DRD2 (0.61) DRD2DRD3DRD1DRD4DRD5
SCHEMBL899642 0.76 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 — — US disclosed
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 — — EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US disclosed
EP-2185567-B1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER PROD INC (US) 2011-03-23 — — EP disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 — — US disclosed
US-7718645-B2 Substituted bicyclolactam compounds PFIZER INC. (US) 2010-05-18 — — US disclosed
US-20090137551-A1 Substituted Bicyclolactam Compounds PFIZER INC 2009-05-28 — — US disclosed
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER INC 2009-02-05 — — US disclosed
WO-2008129319-A1 SALTS OF OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2008-10-30 — — WO disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 — — EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 — — 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 (7 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 DRD2 731/4885DRD3 705/4885DRD1 724/4885
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 DRD2 1384/4885DRD3 1487/4885DRD1 1410/4885
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 DRD2 1147/4885DRD3 1513/4885DRD1 841/4885
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 DRD2 2741/4885DRD3 3044/4885DRD1 1786/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DRD2 551/4885DRD3 560/4885DRD1 512/4885
US-20090137551-A1 Substituted Bicyclolactam Compounds CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 DRD2 427/4885DRD3 666/4885DRD1 605/4885
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 DRD2 427/4885DRD3 666/4885DRD1 605/4885

“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.

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