SCHEMBL3545843

SCHEMBL3545843

CC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc(C)cc4)o3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.71
MAPT P10636 5/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPC1 O15118 3/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BPTF Q12830 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 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
SCHEMBL3547530 0.92 DGAT1 (0.77) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL3541358 0.91 DGAT1 (0.70) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL3543708 0.91 DGAT1 (0.76) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL3545027 0.90 DGAT1 (0.69) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL4518459 0.90 MAPT (0.74) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL3540512 0.89 DGAT1 (0.68) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL3547038 0.89 DGAT1 (0.68) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL3543204 0.89 DGAT1 (0.68) DGAT1MAPTALDH1A1CYP2C9HPGD
SCHEMBL3539113 0.88 DGAT1 (0.82) DGAT1NPC1PKMRAB9ATP53
SCHEMBL3539535 0.87 DGAT1 (0.73) DGAT1MAPTALDH1A1CYP2C9HPGD

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 1/4885MAPT 2115/4885ALDH1A1 314/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DGAT1 1/4885MAPT 1986/4885ALDH1A1 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.