SCHEMBL868607

SCHEMBL868607

O=C(c1ccc2nc(-c3ccccc3)sc2c1)N1CC(N2CCN(c3ncccn3)C(=O)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.49
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL868911 0.89 MGLL (0.49) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL867597 0.82 SLC6A7 (0.54) MGLLKDM4EALDH1A1HPGDMAPT
SCHEMBL699388 0.82 MGLL (0.58) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL699341 0.79 MGLL (0.70) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL696373 0.77 MGLL (0.70) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL912493 0.75 MGLL (0.51) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL146338 0.73 MGLL (0.56) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL144232 0.72 MGLL (0.52) MGLLKDM4ESMN1; SMN2NFKB1NFKB2
SCHEMBL868263 0.72 MGLL (0.71) MGLLNPC1RAB9A
SCHEMBL868055 0.71 SLC6A7 (0.58) MGLLALDH1A1HPGDPOLBMEN1

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.