SCHEMBL3545684

SCHEMBL3545684

Cc1[c]ncc(CC(=O)O)c1N1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 7/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
PDE4B Q07343 1/20 0.32
HPGD P15428 2/20 0.31
ALOX12 P18054 1/20 0.31
PLK1 P53350 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR2 Q92731 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL3546952 0.86 NPSR1 (0.37) POLBSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3771669 0.85 MAPT (0.35) POLBSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3540047 0.81 POLB (0.36) POLBSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3539779 0.78 SMN1; SMN2 (0.38) POLBSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3545222 0.72 OPRK1 (0.40) POLBSMN1; SMN2KDM4EMAPTPDE4B
SCHEMBL3548297 0.69 FABP3 (0.34) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL11905021 0.64 HPGD (0.49) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL3537755 0.64 SMN1; SMN2 (0.41) POLBSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3541222 0.61 AKR1B1 (0.40) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1100788 0.60 AR (0.51) POLBKDM4E

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 7 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

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 POLB 1231/4885SMN1; SMN2 4452/4885ALDH1A1 314/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 POLB 1483/4885SMN1; SMN2 4458/4885ALDH1A1 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.