SCHEMBL5536327

SCHEMBL5536327

COC(=O)CC1CCN(c2ccc(-c3nc(C#N)c(C)nc3C)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.37
SOAT1 P35610 2/20 0.37
CETP P11597 2/20 0.36
CDK4 P11802 1/20 0.36
FAAH O00519 1/20 0.36
CHRM2 P08172 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
PDE10A Q9Y233 1/20 0.36
DEGS1 O15121 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
JAK2 O60674 4/20 0.35
JAK3 P52333 3/20 0.35
JAK1 P23458 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5535336 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDJAK3SYK
SCHEMBL5533315 0.84 KDM4D (0.36) CETPJAK3KMT2AACACB
SCHEMBL5538227 0.81 MAPT (0.52) KDM4EALDH1A1HPGDJAK3KMT2A
SCHEMBL2259355 0.80 USP14 (0.38) DGAT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL5535294 0.80 ALDH1A1 (0.38) KDM4EALDH1A1HPGDJAK3KMT2A
SCHEMBL5535313 0.78 DGAT1 (0.35) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL5533302 0.77 CETP (0.41) CETPKDM4EALDH1A1HPGDKMT2A
SCHEMBL8407652 0.75 HRH2 (0.45) CETP
SCHEMBL13114895 0.74 GFER (0.48) DGAT1CDK4DEGS1KDM4EALDH1A1
SCHEMBL5532095 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDJAK3KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
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
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 DGAT1 1/4885SOAT1 3/4885CETP 738/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 DGAT1 1/4885SOAT1 3/4885CETP 746/4885

“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.