SCHEMBL13008024

SCHEMBL13008024

COC(=O)C[C@H]1CC[C@H](c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
DGAT1 O75907 3/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC18A3 Q16572 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 1/20 0.42
DEGS1 O15121 1/20 0.42
NR1H2 P55055 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL10197495 1.00 IDO1 (0.55) IDO1DGAT1TSHRMAPK1AKR1C3
SCHEMBL434831 0.86 ALDH1A1 (0.48) IDO1DGAT1ALDH1A1LMNAMAPT
SCHEMBL14984446 0.86 ALDH1A1 (0.48) IDO1DGAT1ALDH1A1LMNAMAPT
SCHEMBL10197496 0.86 DGAT1 (0.47) IDO1DGAT1ALDH1A1LMNAMAPT
SCHEMBL382898 0.86 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPT
SCHEMBL15073383 0.86 DGAT1 (0.47) IDO1DGAT1ALDH1A1LMNAMAPT
SCHEMBL15073384 0.86 DGAT1 (0.47) IDO1DGAT1ALDH1A1LMNAMAPT
SCHEMBL15054376 0.86 DGAT1 (0.47) IDO1DGAT1ALDH1A1LMNAMAPT
SCHEMBL17327330 0.86 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPT
SCHEMBL382897 0.86 ESR2 (0.56) DGAT1ALDH1A1LMNAMAPT

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 10 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-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-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 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
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20070027093-A1 Anorectic JAPAN TOBACCO INC. (JP) 2007-02-01 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 (4 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 IDO1 2690/4885DGAT1 1/4885TSHR 1451/4885
US-20070027093-A1 Anorectic DGAT1, DGAT2, GPR119 IDO1 2509/4885DGAT1 1/4885TSHR 3962/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 IDO1 2567/4885DGAT1 1/4885TSHR 1169/4885
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 IDO1 2912/4885DGAT1 3/4885TSHR 1168/4885

“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.