SCHEMBL868911

SCHEMBL868911

O=C(c1ccc2nc(-c3ccccc3)sc2c1)N1CC(N2CCN(c3nccs3)C(=O)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.49
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
LMNA P02545 2/20 0.45
SLC6A7 Q99884 1/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR1 P21453 3/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 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
SCHEMBL868607 0.89 MGLL (0.49) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL868055 0.85 SLC6A7 (0.58) MGLLSLC6A7ALDH1A1HPGDMEN1
SCHEMBL868263 0.83 MGLL (0.71) MGLLSLC6A7NPC1RAB9A
SCHEMBL699341 0.83 MGLL (0.70) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL699388 0.79 MGLL (0.58) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL146338 0.77 MGLL (0.56) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL868229 0.77 MGLL (0.72) MGLLSLC6A7KMT2ANPC1RAB9A
SCHEMBL14647957 0.75 MGLL (0.60) MGLLFAAH
SCHEMBL696373 0.74 MGLL (0.70) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL14647963 0.73 MGLL (0.61) MGLLKDM4EALDH1A1HPGDMEN1

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 6/4885KDM4E 1062/4885SMN1; SMN2 2033/4885

“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.