SCHEMBL13009571

SCHEMBL13009571

COC(=O)C[C@H]1CC[C@H](C2CCC(N)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
SMYD3 Q9H7B4 2/20 0.36
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.32
POLB P06746 1/20 0.32
DGAT1 O75907 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM1A O60341 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13240738 0.94 BRD4 (0.43) BRD4SMYD3TSHRSMN1; SMN2LTA4H
SCHEMBL1188558 0.94 BRD4 (0.43) BRD4SMYD3TSHRSMN1; SMN2LTA4H
SCHEMBL13240741 0.94 BRD4 (0.43) BRD4SMYD3TSHRSMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL1543491 0.92 BRD4 (0.42) BRD4SMYD3TSHRSMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL2947572 0.92 BRD4 (0.42) BRD4SMYD3TSHRSMN1; SMN2LTA4H
SCHEMBL24197361 0.84 BRD4 (0.50) BRD4TSHRSMN1; SMN2LTA4HPOLB
SCHEMBL2036054 0.84
SCHEMBL29080625 0.83 BRD4 (0.41) BRD4TSHRLTA4HCYP3A4HSD17B10
SCHEMBL10866000 0.80 TLR4 (0.43) BRD4TSHREPHX2ALDH1A1KMT2A
SCHEMBL10865994 0.80 TLR4 (0.43) BRD4TSHREPHX2ALDH1A1KMT2A

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 6 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-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

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 BRD4 1194/4885SMYD3 1988/4885TSHR 1451/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 BRD4 1199/4885SMYD3 2064/4885TSHR 1169/4885

“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.