SCHEMBL3543448

SCHEMBL3543448

COC(=O)C(C(=O)N1CCCC1)C1(c2[c]cccc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3540356 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3535618 0.86 KMT2A (0.41) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3543845 0.86 KMT2A (0.41) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3540545 0.70 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3546376 0.70 SLC6A4 (0.38)
SCHEMBL3542301 0.70 SLC6A3 (0.37) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3541412 0.70 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3538579 0.67 CHRM3 (0.40) MEN1KMT2AHTTCYP3A4MAPK1
SCHEMBL3545228 0.66 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL3538190 0.66 LMNA (0.33) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4

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 ALDH1A1 314/4885MEN1 3064/4885KMT2A 1509/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ALDH1A1 303/4885MEN1 3095/4885KMT2A 1490/4885

“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.