SCHEMBL5535336

SCHEMBL5535336

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
SYK P43405 2/20 0.37
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
PPARA Q07869 5/20 0.36
KDM1A O60341 4/20 0.35
HPGD P15428 1/20 0.34
ACACB O00763 1/20 0.34
BTK Q06187 1/20 0.34
USP14 P54578 1/20 0.34
PPARD Q03181 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL5536327 0.89 DGAT1 (0.37) KDM4EALDH1A1SYKLCKJAK3
SCHEMBL5533315 0.84 KDM4D (0.36) JAK3ACACBBTK
SCHEMBL5532095 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTLCKJAK3
SCHEMBL5538159 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTLCKJAK3
SCHEMBL5535313 0.79 DGAT1 (0.35) KDM4EALDH1A1KDM1AHPGDACACB
SCHEMBL8409543 0.76 KDM1A (0.41) KDM1AUSP14
SCHEMBL5538227 0.74 MAPT (0.52) KDM4EALDH1A1MAPTLCKJAK3
SCHEMBL5538202 0.73 DGAT1 (0.62) SYK
SCHEMBL5535294 0.73 ALDH1A1 (0.38) KDM4EALDH1A1MAPTLCKJAK3
SCHEMBL5533302 0.72 CETP (0.41) KDM4EALDH1A1MAPTHPGD

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 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.