SCHEMBL695398

SCHEMBL695398

NS(=O)(=O)c1ccc(-n2n[c]cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.58
PTGS1 P23219 9/20 0.58
PDPK1 O15530 1/20 0.57
CHRNA7 P36544 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL27500961 0.89 PTGS2 (0.60) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL8691453 0.87 PTGS2 (0.58) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL6260416 0.79 PTGS2 (0.60) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL6344415 0.78 PTGS2 (0.73) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL5698697 0.77 PTGS2 (0.88) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL5698671 0.76 PTGS2 (0.76) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL5698711 0.76 PTGS2 (0.70) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL5698606 0.76 PTGS2 (0.76) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL6350845 0.76 PTGS2 (0.73) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL6341597 0.76 PTGS2 (0.70) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
CN-102548983-A Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-07-04 CN claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US claimed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP claimed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP claimed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO claimed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP disclosed
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO 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-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC PTGS2 861/4885PTGS1 1010/4885PDPK1 1318/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC PTGS2 861/4885PTGS1 1010/4885PDPK1 1318/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK PTGS2 1704/4885PTGS1 1189/4885PDPK1 2724/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB PTGS2 1474/4885PTGS1 973/4885PDPK1 2325/4885

“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.