SCHEMBL168729

SCHEMBL168729

COC(=O)C1CCC(C(=O)N(CC=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NAMPT P43490 1/20 0.41
GALR3 O60755 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL171044 0.81 DGAT1 (0.44) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL3543089 0.73 MAPT (0.63) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL3543093 0.73 MAPT (0.63) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL13144970 0.72 MAPT (0.57) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL13795372 0.72 MAPT (0.57) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL1018016 0.71 NAMPT (0.50) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL30289535 0.71 MAPT (0.56) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL13245959 0.70 MAPT (0.62) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL2993765 0.70 MAPT (0.62) MAPTALDH1A1KMT2AMEN1NAMPT
SCHEMBL13245958 0.70 MAPT (0.59) MAPTALDH1A1KMT2AMEN1NAMPT

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 MAPT 137/4885ALDH1A1 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.