SCHEMBL3539868

SCHEMBL3539868

CC(C(=O)O)C1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
FFAR1 O14842 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC18A3 Q16572 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRR1 P24046 2/20 0.37
GABRA4 P48169 1/20 0.37
CYP2C9 P11712 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ESR2 Q92731 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL22102107 0.87 DGAT1 (0.42) DGAT1FFAR1NPC1RAB9ACYP2C9
SCHEMBL660938 0.85 ESR2 (0.53) DGAT1CYP2C9ESR2
SCHEMBL432492 0.85 ESR2 (0.53) DGAT1CYP2C9ESR2
SCHEMBL14379229 0.85 KCNH2 (0.48) DGAT1FFAR1NPC1RAB9ASLC18A3
SCHEMBL17025330 0.85 KCNH2 (0.48) DGAT1FFAR1NPC1RAB9ASLC18A3
SCHEMBL20838768 0.85 KCNH2 (0.48) DGAT1FFAR1NPC1RAB9ASLC18A3
SCHEMBL14379232 0.85 KCNH2 (0.48) DGAT1FFAR1NPC1RAB9ASLC18A3
SCHEMBL28770140 0.81 LMNA (0.43) FFAR1ITGB3ITGB1ITGAVITGA5
SCHEMBL13009636 0.81 LMNA (0.43) FFAR1ITGB3ITGB1ITGAVITGA5
SCHEMBL14379233 0.78 DGAT1 (0.39) DGAT1FFAR1NPC1RAB9ACYP2C9

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 6 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 disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 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 (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 DGAT1 1/4885FFAR1 380/4885ITGB3 1571/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DGAT1 1/4885FFAR1 294/4885ITGB3 1603/4885

“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.