SCHEMBL5532391

SCHEMBL5532391

COC(=O)Cc1ccc(-c2ccc(-c3nc(C#N)c(C)nc3C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.46
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SOAT1 P35610 3/20 0.39
TLR7 Q9NYK1 2/20 0.37
ESR1 P03372 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
VDR P11473 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ESR2 Q92731 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 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) DGAT1CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL13769817 0.81 DGAT1 (0.52) DGAT1CYP4F2CYP4A11ALDH1A1SOAT1
SCHEMBL2255451 0.81 MYC (0.47) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL5535918 0.75 PLAU (0.50)
SCHEMBL5536327 0.74 DGAT1 (0.37) DGAT1ALDH1A1HPGDKDM4ESOAT1
SCHEMBL5531200 0.73 CHEK1 (0.54) ALDH1A1KDM4ETHRB
SCHEMBL12360763 0.73 ERBB2 (0.54) ALDH1A1HPGDKDM4ETHRBNPC1
SCHEMBL15804409 0.71 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1HPGDNPC1
SCHEMBL16519646 0.70 ERBB2 (0.40) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL2662135 0.70 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1NPC1RAB9A

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 DGAT1 1/4885CYP4F2 543/4885CYP4A11 1335/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 DGAT1 1/4885CYP4F2 548/4885CYP4A11 1373/4885

“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.