SCHEMBL168728

SCHEMBL168728

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NAMPT P43490 1/20 0.49
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.45
KMT2A Q03164 6/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 3/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL442694 0.82 SMN1; SMN2 (0.53) MAPTALDH1A1HTTKMT2APKM
SCHEMBL406875 0.82 SMN1; SMN2 (0.53) MAPTALDH1A1HTTKMT2APKM
SCHEMBL171043 0.81 DGAT1 (0.44) MAPTNAMPTATMALDH1A1HTT
SCHEMBL174525 0.80 ATM (0.44) MAPTNAMPTATMALDH1A1HTT
SCHEMBL166256 0.79 ALDH1A1 (0.55) MAPTALDH1A1HTTKMT2APKM
SCHEMBL3543089 0.75 MAPT (0.63) MAPTNAMPTALDH1A1KMT2AMEN1
SCHEMBL3543093 0.75 MAPT (0.63) MAPTNAMPTALDH1A1KMT2AMEN1
SCHEMBL4472065 0.74 SMN1; SMN2 (0.58) MAPTALDH1A1KMT2APKMMEN1
SCHEMBL30289535 0.72 MAPT (0.56) MAPTNAMPTALDH1A1KMT2AMEN1
SCHEMBL23728052 0.72 GSK3B (0.59) MAPTALDH1A1KMT2APKMTAAR1

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 137/4885NAMPT 32/4885ATM 3556/4885

“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.