SCHEMBL163440

SCHEMBL163440

CCOC(=O)CN1CCC(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 8/20 0.52
ENPP2 Q13822 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
PRKCZ Q05513 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL161936 0.86 ENPP2 (0.50) SMN1; SMN2ALDH1A1ENPP2MAPTPRKCZ
SCHEMBL163919 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1RAB9AGAAMAPT
SCHEMBL14551140 0.79 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1RAB9AGAAMAPT
SCHEMBL163086 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1RAB9AENPP2MAPT
SCHEMBL162044 0.76 ENPP2 (0.46) SMN1; SMN2ALDH1A1RAB9AENPP2MAPT
SCHEMBL162210 0.76 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AENPP2GAANPC1
SCHEMBL9983363 0.75 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1RAB9AMAPTMEN1
SCHEMBL15034716 0.73 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1RAB9AGAAMAPT
Hydrochloric Acid SCHEMBL162532 0.72 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1RAB9AGAAMAPT
SCHEMBL1756326 0.72 RAB9A (0.63) SMN1; SMN2ALDH1A1RAB9AGAAMAPT

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.