SCHEMBL3548548

SCHEMBL3548548

O=C(O)CC1(c2[c]nccc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
GAA P10253 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
EPHX2 P34913 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3545763 0.83 CYP19A1 (0.34) HSD11B1GAAALDH1A1TSHRHPGD
SCHEMBL15416268 0.77 AKR1C1 (0.47) HSD11B1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL3542554 0.76 HSD11B1 (0.49) HSD11B1GAAALDH1A1CYP2C19KDM4E
SCHEMBL3545187 0.74 HSD11B1 (0.46) HSD11B1ALDH1A1CYP2C19LMNATSHR
SCHEMBL2066015 0.71 ALDH1A1 (0.33) GAAALDH1A1LMNASMN1; SMN2
SCHEMBL5365797 0.71 HSD11B1 (0.72) HSD11B1ALDH1A1CYP2C19LMNATSHR
SCHEMBL15414516 0.71 HSD11B1 (0.47) HSD11B1GAAALDH1A1CYP2C19KDM4E
SCHEMBL1813952 0.70 GAA (0.50) HSD11B1GAAALDH1A1KDM4ETSHR
SCHEMBL12079685 0.70 CYP19A1 (0.33) GAAKDM4EMAPK1
Hydrochloric Acid SCHEMBL11526870 0.69 HSD11B1 (0.70) HSD11B1ALDH1A1CYP2C19LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
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-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 (2 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 HSD11B1 117/4885GAA 171/4885ALDH1A1 314/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 HSD11B1 126/4885GAA 163/4885ALDH1A1 303/4885

“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.