Sugi Predict

Sugi Predict / Compounds / SCHEMBL5535294

SCHEMBL5535294

SCHEMBL5535294

CCOC(=O)C(C)C1CCN(c2ccc(-c3nc(C#N)c(C)nc3C)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.38
▸ KDM4E B2RXH2 9/20 0.38
▸ LCK P06239 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAPT P10636 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PRKD2 Q9BZL6 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
SCHEMBL5538227 0.87 MAPT (0.52) ALDH1A1KDM4ELCKJAK3MAPT
SCHEMBL5533302 0.81 CETP (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL5536327 0.80 DGAT1 (0.37) ALDH1A1KDM4ELCKJAK3KMT2A
SCHEMBL5532095 0.80 KDM4E (0.58) ALDH1A1KDM4ELCKJAK3MAPT
SCHEMBL5538159 0.80 KDM4E (0.58) ALDH1A1KDM4ELCKJAK3MAPT
SCHEMBL2259355 0.74 USP14 (0.38) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL5533315 0.74 KDM4D (0.36) JAK3KMT2ABTK
SCHEMBL21385141 0.74 MAPT (0.45) ALDH1A1KDM4EMAPTKMT2ANPSR1
SCHEMBL5535313 0.74 DGAT1 (0.35) ALDH1A1KDM4EKMT2ANPSR1HPGD
SCHEMBL21384573 0.73 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1L3MBTL1

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 ALDH1A1 277/4885KDM4E 2106/4885LCK 3829/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ALDH1A1 272/4885KDM4E 2125/4885LCK 3787/4885

“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.