SCHEMBL161605

SCHEMBL161605

COC(=O)CC(C)(C)CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.45
GSK3B P49841 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
RAB9A P51151 1/20 0.40
P2RY6 Q15077 1/20 0.40

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
SCHEMBL163005 0.84 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL161141 0.82 MAPT (0.66) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL162760 0.80 MAPT (0.56) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL162620 0.77 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL23728041 0.76 PPARG (0.49) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL5474416 0.75 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1GSK3B
SCHEMBL8947150 0.74 GAA (0.67) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4472065 0.74 SMN1; SMN2 (0.58) MAPTMEN1KMT2AALDH1A1GSK3B
SCHEMBL12503662 0.73 GSK3B (0.53) MAPTMEN1KMT2AALDH1A1GSK3B
SCHEMBL2294639 0.73 ADRB2 (0.56) MAPTMEN1KMT2AALDH1A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
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 137/4885MEN1 2803/4885KMT2A 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.