SCHEMBL171044

SCHEMBL171044

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL168729 0.81 MAPT (0.52) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL171043 0.73 DGAT1 (0.44) DGAT1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL7421005 0.72 MAPT (0.50) MAPTMAPK1SMN1; SMN2LMNAKDM4E
SCHEMBL4399969 0.72 MAPT (0.70) MAPTMAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL31639759 0.72 DGAT1 (0.48) DGAT1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL18971917 0.69 CYP1A2 (0.57) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL20794004 0.69 MAPT (0.40) DGAT1MAPTALDH1A1KMT2AGAA
SCHEMBL8715790 0.69 MAPT (0.47) MAPTMAPK1SMN1; SMN2LMNAKDM4E
SCHEMBL7845711 0.68 MAPT (0.50) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7417406 0.68 ALDH1A1 (0.70) MAPTMAPK1SMN1; SMN2LMNAKDM4E

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 DGAT1 1/4885MAPT 137/4885MAPK1 1059/4885

“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.