SCHEMBL163086

SCHEMBL163086

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
GPR119 Q8TDV5 3/20 0.46
HTT P42858 2/20 0.46
USP30 Q70CQ3 3/20 0.45
ENPP2 Q13822 1/20 0.45
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 1/20 0.44
UCHL1 P09936 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL23411860 0.87 FAAH (0.53) ALDH1A1GPR119HTTUSP30ENPP2
SCHEMBL3767361 0.86 ENPP2 (0.57) SMN1; SMN2MAPTLMNAGPR119HTT
SCHEMBL1653297 0.86 USP30 (0.59) GPR119USP30FAAH
SCHEMBL13807569 0.81 GPR119 (0.47) ALDH1A1GPR119HTTUSP30ENPP2
SCHEMBL20116206 0.80 HTT (0.50) ALDH1A1GPR119HTTMEN1KMT2A
SCHEMBL30720990 0.80 HTT (0.50) ALDH1A1GPR119HTTMEN1KMT2A
SCHEMBL163959 0.80 ALDH1A1 (0.52) ALDH1A1MAPTLMNAGPR119HTT
SCHEMBL31112022 0.80 GPR119 (0.43) GPR119FAAH
SCHEMBL13422169 0.80 GPR119 (0.48) ALDH1A1MAPTGPR119HTTUSP30
SCHEMBL14551140 0.79 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPTLMNARAB9A

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 6 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
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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
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 ALDH1A1 369/4885SMN1; SMN2 2105/4885MAPT 137/4885

“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.