SCHEMBL5533583

SCHEMBL5533583

COC(=O)CCc1cccc(-c2ccc(-c3nc(C#N)c(C)nc3C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
VDR P11473 1/20 0.39
PPARD Q03181 1/20 0.39
SYK P43405 4/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
FFAR1 O14842 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
NR1H2 P55055 1/20 0.37
NOS2 P35228 1/20 0.36
PTPN1 P18031 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MMP3 P08254 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5533628 0.89 SYK (0.42) VDRPPARDSYKNR1H2KDM4E
SCHEMBL13769256 0.84 MAPK1 (0.42) CNR2VDRPPARDSYKAKT1
SCHEMBL5532391 0.80 DGAT1 (0.46) VDRPPARDKDM4EALDH1A1
SCHEMBL5535918 0.79 PLAU (0.50) CDK8LMNA
SCHEMBL5033493 0.77 PTPN1 (0.54) FFAR1SIRT2PTPN1KDM4EALDH1A1
SCHEMBL9456168 0.75 PTPN1 (0.55) CNR2FFAR1SIRT2PTPN1KDM4E
SCHEMBL5039697 0.74 PTPN1 (0.54) CNR2FFAR1SIRT2PTPN1KDM4E
SCHEMBL31103174 0.73 CNR2 (0.57) CNR2FFAR1SIRT2PTPN1ALDH1A1
SCHEMBL13769253 0.73 SYK (0.44) VDRPPARDSYKALDH1A1
SCHEMBL12646553 0.73 MMP12 (0.56) FFAR1PTPN1BRD4HDAC1

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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CNR2 492/4885VDR 2498/4885PPARD 137/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CNR2 486/4885VDR 2514/4885PPARD 141/4885

“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.