SCHEMBL5538159

SCHEMBL5538159

CCOC(=O)[C@@H]1CCCN(c2ccc(-c3nc(C#N)c(C)nc3C)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 6/20 0.58
MAPT P10636 8/20 0.57
NPSR1 Q6W5P4 3/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
MMP13 P45452 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SHMT2 P34897 1/20 0.45
MCL1 Q07820 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL5532095 1.00 KDM4E (0.58) KDM4EALDH1A1MAPTNPSR1TSHR
SCHEMBL5538227 0.88 MAPT (0.52) KDM4EALDH1A1MAPTNPSR1TSHR
SCHEMBL13769799 0.85 SHMT2 (0.49) KDM4EALDH1A1MAPTNPSR1TSHR
SCHEMBL13769798 0.85 SHMT2 (0.49) KDM4EALDH1A1MAPTNPSR1TSHR
SCHEMBL5535336 0.80 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDLCK
SCHEMBL5535294 0.80 ALDH1A1 (0.38) KDM4EALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL21848213 0.77 SHMT2 (0.59) KDM4EALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5533302 0.77 CETP (0.41) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL4684573 0.75 ALDH1A1 (0.58) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL31175186 0.74 ALDH1A1 (0.70) KDM4EALDH1A1TSHRSMN1; SMN2L3MBTL1

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 7 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

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 KDM4E 2106/4885ALDH1A1 277/4885MAPT 3037/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 KDM4E 2125/4885ALDH1A1 272/4885MAPT 2909/4885

“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.