SCHEMBL174525

SCHEMBL174525

CC(C)(C)OC(=O)CC1CCC(C(=O)NCC(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 5/20 0.43
NAMPT P43490 1/20 0.42
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 4/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL171043 0.87 DGAT1 (0.44) ATMALDH1A1KMT2ANAMPTPKM
SCHEMBL166256 0.82 ALDH1A1 (0.55) ALDH1A1KMT2APKMTAAR1MAPT
SCHEMBL168728 0.80 MAPT (0.54) ATMALDH1A1KMT2ANAMPTPKM
SCHEMBL23728041 0.76 PPARG (0.49) ALDH1A1KMT2APKMMAPTLMNA
SCHEMBL29913904 0.72 CYP1A2 (0.41) ATMKMT2AMEN1SMN1; SMN2
SCHEMBL23747766 0.71 PPARG (0.45) ALDH1A1KMT2AMAPTMEN1
SCHEMBL14822795 0.70 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTL3MBTL1MEN1
SCHEMBL12503690 0.70 GSK3B (0.44) ALDH1A1KMT2APKMMAPTLMNA
SCHEMBL10639506 0.68 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTHTTLMNA
SCHEMBL4472065 0.68 SMN1; SMN2 (0.58) ALDH1A1KMT2APKMMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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 (1 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ATM 3556/4885ALDH1A1 369/4885KMT2A 2187/4885

“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.