SCHEMBL1399748

SCHEMBL1399748

COC(=O)C[C@H]1CC[C@H](c2ccc(N)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.51
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 2/20 0.44
SOAT1 P35610 2/20 0.41
FAAH O00519 1/20 0.40
CHRM2 P08172 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
PDE10A Q9Y233 1/20 0.40
IDO1 P14902 1/20 0.40
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL1399745 1.00 DGAT1 (0.51) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL16969309 0.88 DGAT1 (0.42) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL17327330 0.86 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL10197496 0.86 DGAT1 (0.47) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL382898 0.86 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL382897 0.86 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL14113473 0.85 DGAT1 (0.48) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL3302329 0.85 DGAT1 (0.48) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL3302331 0.85 DGAT1 (0.48) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL3307324 0.85 ALDH1A1 (0.50) DGAT1ALDH1A1LMNAMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 US disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 US disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 EP disclosed
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US 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-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
EP-2041101-A1 CRYSTALLINE FORM OF (TRANS-4- [ ( { 5- [ (3, 4 -DI FLUOROPHENYL) AMINO]-1,3, 4-OXADIAZOL-2-YL}CARBONYL) AMINO]PH ENYL } CYCLOHEXYL) ACETIC ACID AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-2032546-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Astra Zeneca AB (SE) 2009-03-11 EP 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
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
WO-2007144571-A1 CRYSTALLINE FORM OF (TRANS-4- [ ( { 5- [ (3, 4 -DI FLUOROPHENYL) AMINO] -1,3, 4-OXADIAZOL-2-YL}CARBONYL) AMINO] PH ENYL } CYCLOHEXYL) ACETIC ACID ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141538-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2007-12-13 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 (6 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 DGAT1 1/4885ALDH1A1 314/4885LMNA 3296/4885
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT DGAT1, GOT1, ACAT2 DGAT1 1/4885ALDH1A1 391/4885LMNA 2256/4885
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 DGAT1 1/4885ALDH1A1 112/4885LMNA 3400/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DGAT1 1/4885ALDH1A1 303/4885LMNA 3477/4885
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY DGAT1, ACAT1, DGAT2 DGAT1 1/4885ALDH1A1 347/4885LMNA 3790/4885
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 DGAT1 3/4885ALDH1A1 292/4885LMNA 3179/4885

“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.