SCHEMBL163404

SCHEMBL163404

CCOC(=O)C(C)(C)N1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
CPT1A P50416 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.39
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
LMNA P02545 1/20 0.39
PRKCZ Q05513 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
SCHEMBL159937 0.89 CPT1A (0.44) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL163259 0.87 MAP4K3 (0.41) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL163919 0.84 SMN1; SMN2 (0.48) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL173905 0.80 DGAT1 (0.52) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL163959 0.80 ALDH1A1 (0.52) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL161813 0.80 CPT1A (0.42) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL255558 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL174791 0.76 CPT1A (0.42) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL159024 0.75 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL159969 0.75 MAP4K4 (0.38) CPT1A

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 SLC6A2 449/4885SLC6A4 1375/4885SLC6A3 418/4885

“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.