SCHEMBL161813

SCHEMBL161813

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
SLC6A4 P31645 4/20 0.42
TRPV1 Q8NER1 3/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
XDH P47989 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
GAA P10253 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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 0.87 CPT1A (0.44) CPT1ASLC6A2SLC6A3SLC6A4TRPV1
SCHEMBL165783 0.87 TRPV1 (0.37) CPT1ATRPV1ALDH1A1MAPT
SCHEMBL163959 0.86 ALDH1A1 (0.52) CPT1ASLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL163404 0.80 SLC6A2 (0.44) CPT1ASLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL174791 0.79 CPT1A (0.42) CPT1ASLC6A2SLC6A3SLC6A4TRPV1
SCHEMBL255558 0.79 SLC6A2 (0.50) CPT1ASLC6A2SLC6A3SLC6A4TRPV1
SCHEMBL163919 0.77 SMN1; SMN2 (0.48) CPT1ASLC6A2SLC6A3SLC6A4TRPV1
SCHEMBL160759 0.77 DGAT1 (0.49) TRPV1LMNAMAPTSMN1; SMN2
SCHEMBL161574 0.77 DGAT1 (0.40) TRPV1MAPT
SCHEMBL163107 0.77 DGAT1 (0.49) TRPV1MAPTSMN1; SMN2

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 CPT1A 4/4885SLC6A2 449/4885SLC6A3 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.