SCHEMBL3549216

SCHEMBL3549216

CC1(C(=O)O)CCN(c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4F)o3)cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.63
ACAT1 P24752 2/20 0.63
SOAT1 P35610 1/20 0.50

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
SCHEMBL3543106 0.93 DGAT1 (0.61) DGAT1ACAT1SOAT1
SCHEMBL3540446 0.91 DGAT1 (0.75) DGAT1ACAT1SOAT1
SCHEMBL3544077 0.90 DGAT1 (0.61) DGAT1ACAT1
SCHEMBL3549223 0.86 DGAT1 (0.67) DGAT1ACAT1SOAT1
SCHEMBL3548434 0.85 DGAT1 (0.67) DGAT1ACAT1
SCHEMBL3543772 0.85 DGAT1 (0.80) DGAT1ACAT1
SCHEMBL3546556 0.85 DGAT1 (0.67) DGAT1ACAT1SOAT1
SCHEMBL3541638 0.84 DGAT1 (0.61) DGAT1ACAT1
Hydrochloric Acid SCHEMBL3769971 0.84 DGAT1 (0.66) DGAT1ACAT1SOAT1
SCHEMBL3545371 0.84 DGAT1 (0.65) DGAT1ACAT1

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 5 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
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 1/4885ACAT1 14/4885SOAT1 7/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DGAT1 1/4885ACAT1 13/4885SOAT1 7/4885

“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.