SCHEMBL145405

SCHEMBL145405

O=C(c1sc2cc(-c3ccccc3)ccc2c1-c1ccccc1)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
KDM5A P29375 2/20 0.38
MTR Q99707 1/20 0.34
MCHR1 Q99705 1/20 0.32
SCN1A P35498 4/20 0.32
SCN5A Q14524 4/20 0.32
SCN9A Q15858 4/20 0.32
CRBN Q96SW2 1/20 0.31
MCL1 Q07820 1/20 0.31
ESR1 P03372 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CYP2C9 P11712 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL147191 0.90 MGLL (0.44) MGLLKDM5AMTRCYP2C9ADRA1A
SCHEMBL146774 0.82 MGLL (0.48) MGLLKDM5AMTRMCHR1SCN1A
SCHEMBL145401 0.80 MGLL (0.48) MGLLKDM5AMTRMCHR1SCN1A
SCHEMBL121298 0.80 MGLL (0.58) MGLLKDM5AMTRSCN1ASCN5A
SCHEMBL142482 0.79 MGLL (0.45) MGLLKDM5AMTR
SCHEMBL144902 0.79 MGLL (0.53) MGLLKDM5A
SCHEMBL121565 0.78 MGLL (0.62) MGLLKDM5AMTRSCN1ASCN5A
SCHEMBL145595 0.77 MGLL (0.55) MGLLKDM5AMCHR1SCN1ASCN5A
SCHEMBL145380 0.77 MGLL (0.47) MGLLKDM5AMCHR1SCN1ASCN5A
SCHEMBL142293 0.75 MGLL (0.60) MGLLKDM5AMTRSCN1ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504338-B1 PYRIDINE-PYRIDINONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-03-18 EP claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 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 (3 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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885MTR 2096/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885MTR 2096/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM5A 1857/4885MTR 1842/4885

“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.