SCHEMBL10130835

SCHEMBL10130835

O=C(O)c1ccc2c(c1)CCN2c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.45
OPRD1 P41143 5/20 0.45
OPRK1 P41145 5/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MCL1 Q07820 1/20 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
SCHEMBL698804 0.86 OPRM1 (0.47) OPRM1OPRD1OPRK1ACHEPDK1
SCHEMBL6844829 0.85 SRD5A1 (0.55) OPRM1OPRD1OPRK1PDK1PDK2
SCHEMBL8367429 0.78 NR3C2 (0.45) OPRM1OPRD1OPRK1ACHEPDK1
SCHEMBL8367330 0.77 MAPT (0.51) ACHEKDM4EGAAMEN1KMT2A
SCHEMBL8359611 0.76 NR3C2 (0.49) OPRM1OPRD1OPRK1
SCHEMBL23611045 0.76 ACHE (0.45) OPRM1OPRD1OPRK1ACHEPDK1
SCHEMBL8362909 0.75 ACHE (0.41) OPRM1OPRD1OPRK1ACHEPDK1
SCHEMBL22226250 0.75 HPGD (0.52) OPRM1OPRD1OPRK1PDK1PDK2
SCHEMBL2610328 0.74 NOTUM (0.50) OPRM1OPRD1OPRK1KMT2APOLB
SCHEMBL22226859 0.74 HPGD (0.57) OPRM1OPRD1OPRK1TSHRPDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 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 (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-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, PNLIP, LIPA OPRM1 57/4885OPRD1 20/4885OPRK1 51/4885

“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.