SCHEMBL121498

SCHEMBL121498

CC(=O)c1cc(C)c2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
KCNH2 Q12809 2/20 0.39
ABCB1 P08183 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
CYP2A6 P11509 1/20 0.36
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL120512 0.89 NOTUM (0.40) KCNH2THRBSCN2BSCN1ASCN1B
SCHEMBL140898 0.85 KDM4E (0.46) PIK3CAMTORL3MBTL1ALDH1A1KDM4E
SCHEMBL122499 0.77 KCNH2 (0.57) KCNH2MGLLALDH1A1KDM4EMAPT
SCHEMBL6840353 0.74 MGLL (0.39) KCNH2SCN9AMGLLALDH1A1KDM4E
SCHEMBL17929126 0.71 L3MBTL1 (0.50) PTGS2KCNH2ABCB1L3MBTL1THRB
SCHEMBL695235 0.69 KCNH2 (0.40) PTGS2KCNH2KDM4EHPGDGABRA2
SCHEMBL121755 0.67 MGLL (0.56) KCNH2THRBSCN9AMGLLALDH1A1
SCHEMBL2610323 0.67 KCNH2 (0.48) KCNH2SCN2BSCN1ASCN1BSCN5A
SCHEMBL149014 0.66 KDM4E (0.54) KCNH2L3MBTL1MGLLALDH1A1KDM4E
SCHEMBL6582601 0.66 KCNH2 (0.53) KCNH2MGLLALDH1A1KDM4EMAPT

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
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-8637498-B2 Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-28 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 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
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 (4 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 PTGS2 607/4885KCNH2 1168/4885ABCB1 1828/4885
US-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, PNLIP, LIPA PTGS2 742/4885KCNH2 189/4885ABCB1 540/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL PTGS2 607/4885KCNH2 1168/4885ABCB1 1828/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA PTGS2 560/4885KCNH2 880/4885ABCB1 1894/4885

“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.