SCHEMBL3544900

SCHEMBL3544900

Cc1cc([N+](=O)[O-])cnc1N1CCC(CC(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.47
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
FFAR4 Q5NUL3 8/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RHOA P61586 1/20 0.41
MAPT P10636 2/20 0.40
TRPV1 Q8NER1 2/20 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
SCHEMBL3544895 1.00 OPRK1 (0.47) OPRK1HTTALDH1A1MAPK1FFAR4
SCHEMBL13009734 0.88 OPRK1 (0.52) OPRK1HTTALDH1A1MAPK1POLB
SCHEMBL16467118 0.85 OPRK1 (0.45) OPRK1HTTALDH1A1MAPK1POLB
SCHEMBL16467021 0.83 ALDH1A1 (0.50) OPRK1HTTALDH1A1MAPK1POLB
SCHEMBL801074 0.81 ALDH1A1 (0.59) OPRK1HTTALDH1A1MAPK1POLB
SCHEMBL3549179 0.81 FFAR4 (0.43) OPRK1FFAR4
SCHEMBL16449194 0.81 OPRK1 (0.47) OPRK1
SCHEMBL4606448 0.79 ALDH1A1 (0.49) OPRK1HTTALDH1A1MAPK1MAPT
SCHEMBL5252144 0.79 OPRK1 (0.49) OPRK1HTTALDH1A1MAPK1POLB
SCHEMBL3541202 0.79 MAPT (0.58) OPRK1HTTALDH1A1MAPK1POLB

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
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US 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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 OPRK1 1124/4885HTT 1370/4885ALDH1A1 314/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 OPRK1 1053/4885HTT 1275/4885ALDH1A1 303/4885

“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.