SCHEMBL163919

SCHEMBL163919

CCOC(=O)CN1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MAPT P10636 4/20 0.44
CPT1A P50416 1/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
AR P10275 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL162224 0.86 MAP4K4 (0.45) SMN1; SMN2ALDH1A1RAB9AMAPTKMT2A
SCHEMBL173905 0.85 DGAT1 (0.52) SMN1; SMN2ALDH1A1RAB9ASLC6A2SLC6A4
SCHEMBL163404 0.84 SLC6A2 (0.44) SMN1; SMN2ALDH1A1RAB9ASLC6A2SLC6A4
SCHEMBL163440 0.82 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1RAB9AMAPTKMT2A
SCHEMBL15041085 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CPT1ATRPV1
SCHEMBL255558 0.77 SLC6A2 (0.50) SMN1; SMN2ALDH1A1RAB9ASLC6A2SLC6A4
SCHEMBL163959 0.77 ALDH1A1 (0.52) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL161813 0.77 CPT1A (0.42) SMN1; SMN2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL159937 0.76 CPT1A (0.44) SMN1; SMN2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL163877 0.76 ALDH1A1 (0.41) ALDH1A1LMNA

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 SMN1; SMN2 2105/4885ALDH1A1 369/4885RAB9A 1781/4885

“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.