SCHEMBL161936

SCHEMBL161936

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
FAAH O00519 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
PRKCZ Q05513 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL163440 0.86 SMN1; SMN2 (0.54) ENPP2SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL162224 0.80 MAP4K4 (0.45) ENPP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL162044 0.79 ENPP2 (0.46) ENPP2SMN1; SMN2ALDH1A1FAAHLMNA
SCHEMBL162210 0.79 SMN1; SMN2 (0.45) ENPP2SMN1; SMN2FAAHTSHR
SCHEMBL27336935 0.75 ITGB3 (0.77) ENPP2ITGB3ITGA2B
SCHEMBL2218485 0.75 ATP4A (0.47) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL9984662 0.71 ATP4A (0.44) SMN1; SMN2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL25168713 0.71 FAAH (0.51) SMN1; SMN2FAAHLMNAL3MBTL1
SCHEMBL12620781 0.71 SMN1; SMN2 (0.46) ENPP2SMN1; SMN2ALDH1A1ITGB3ITGA2B
SCHEMBL12620768 0.70 ALDH1A1 (0.49) ENPP2SMN1; SMN2ALDH1A1ITGB3ITGA2B

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 ENPP2 414/4885SMN1; SMN2 2105/4885ALDH1A1 369/4885

“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.