SCHEMBL173905

SCHEMBL173905

CCOC(=O)CC1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
MAPT P10636 5/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
XDH P47989 1/20 0.39
AR P10275 2/20 0.39
LMNA P02545 2/20 0.39
CPT1A P50416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 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
SCHEMBL174791 0.87 CPT1A (0.42) DGAT1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL174183 0.86 SMN1; SMN2 (0.41) DGAT1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL170964 0.86 XDH (0.44) DGAT1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL163919 0.85 SMN1; SMN2 (0.48) MAPTSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL174426 0.82 SLC6A2 (0.41) MAPTSLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL174674 0.82 SLC6A2 (0.41) DGAT1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL163404 0.80 SLC6A2 (0.44) MAPTSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL176031 0.79 SLC6A2 (0.40) DGAT1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL176029 0.79 SLC6A2 (0.40) DGAT1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL176030 0.79 SLC6A2 (0.40) DGAT1MAPTSLC6A2SLC6A4SLC6A3

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 137/4885SLC6A2 449/4885

“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.