SCHEMBL3040666

SCHEMBL3040666

CC(C)(C)OC(=O)N1CCC(CNC(=O)CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
TPSAB1 Q15661 2/20 0.62
TPSD1 Q9BZJ3 2/20 0.62
TPSG1 Q9NRR2 2/20 0.62
HTT P42858 1/20 0.53
GPR119 Q8TDV5 1/20 0.52
YAP1 P46937 3/20 0.51
GRIN2B Q13224 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
STS P08842 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 1/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49

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
SCHEMBL1241067 0.93 KDM4E (0.69) KDM4EPKMTPSAB1TPSD1TPSG1
SCHEMBL3045888 0.91 TPSAB1 (0.64) KDM4EPKMTPSAB1TPSD1TPSG1
SCHEMBL20660273 0.89 KDM4E (0.64) KDM4EPKMHTTGPR119YAP1
SCHEMBL26496169 0.87 KDM4E (0.61) KDM4EPKMHTTGPR119YAP1
SCHEMBL12723099 0.87 KDM4E (0.60) KDM4EPKMTPSAB1TPSD1TPSG1
SCHEMBL3272146 0.87 KDM4E (0.60) KDM4EPKMTPSAB1TPSD1TPSG1
SCHEMBL19706814 0.87 KDM4E (0.60) KDM4EPKMTPSAB1TPSD1TPSG1
SCHEMBL20782479 0.85 KDM4E (0.58) KDM4EPKMTPSAB1TPSD1TPSG1
SCHEMBL3048960 0.85 SIGMAR1 (0.56) HTTGPR119ALDH1A1
SCHEMBL5351275 0.84 KDM4E (0.62) KDM4EPKMTPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP disclosed
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2013-01-31 US disclosed
US-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2012-11-22 US disclosed
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-29 US disclosed
EP-2057116-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-05-13 EP disclosed
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
WO-2008050167-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP 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-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 KDM4E 2717/4885PKM 1056/4885TPSAB1 19/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 KDM4E 2540/4885PKM 1079/4885TPSAB1 17/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 KDM4E 2647/4885PKM 1037/4885TPSAB1 13/4885

“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.