SCHEMBL867873

SCHEMBL867873

O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CC(N2CCC(=O)N(c3ncccn3)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.64
ALDH1A1 P00352 7/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
TACR1 P25103 1/20 0.33
SLC6A7 Q99884 1/20 0.33

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
SCHEMBL868415 0.93 MGLL (0.62) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL868736 0.88 MGLL (0.61) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL867578 0.81 MGLL (0.59) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL868136 0.81 MGLL (0.60) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL14815881 0.80 MGLL (0.72) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL913125 0.80 MGLL (0.71) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL868740 0.79 MGLL (0.71) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL911740 0.79 MGLL (0.71) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL14815522 0.79 MGLL (0.68) MGLLALDH1A1LMNAKMT2ARECQL
SCHEMBL912126 0.78 MGLL (1.00) MGLLALDH1A1LMNAKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637498-B2 Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-28 US disclosed
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 MGLL 6/4885ALDH1A1 624/4885LMNA 1957/4885

“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.