SCHEMBL121330

SCHEMBL121330

O=C1c2ccccc2CN1C1CN(C2CN(P)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTR Q99707 1/20 0.47
MGLL Q99685 1/20 0.45
KMT2A Q03164 1/20 0.45
CRBN Q96SW2 1/20 0.44
HTR2C P28335 5/20 0.43
HTR2B P41595 5/20 0.43
HTR2A P28223 4/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SCN1A P35498 3/20 0.40
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
DPP4 P27487 1/20 0.39
KDM5A P29375 1/20 0.38
NPY1R P25929 1/20 0.37
NPY5R Q15761 1/20 0.37
PKM P14618 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL121672 0.94 MTR (0.51) MTRKMT2ACRBNHTR2CHTR2B
SCHEMBL121295 0.82 HTR2C (0.52) MTRMGLLKMT2ACRBNHTR2C
SCHEMBL29961279 0.77 MTR (0.59) MTRKMT2ACRBNHTR2CHTR2B
SCHEMBL18216849 0.77 MTR (0.59) MTRKMT2ACRBNHTR2CHTR2B
SCHEMBL121298 0.75 MGLL (0.58) MTRMGLLKMT2AHTR2BSCN1A
SCHEMBL122428 0.75 MGLL (0.47) MTRMGLLHTR2CHTR2BHTR2A
SCHEMBL149492 0.75 MGLL (0.58) MTRMGLLCRBNSCN1ASCN5A
SCHEMBL175096 0.75 MTR (0.51) MTRMGLLKMT2ACRBNHTR2C
SCHEMBL2183088 0.74 MTR (0.60) MTRKMT2ACRBNHTR2CHTR2B
SCHEMBL31252793 0.74 MTR (0.60) MTRKMT2ACRBNHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol 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 MTR 2096/4885MGLL 1/4885KMT2A 2355/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MTR 2096/4885MGLL 1/4885KMT2A 2355/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MTR 1842/4885MGLL 4/4885KMT2A 2049/4885

“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.