SCHEMBL506259

SCHEMBL506259

COC(=O)c1cc(Cl)c(NC(C)=O)c2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
ACVRL1 P37023 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NQO2 P16083 1/20 0.37
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 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
SCHEMBL6600592 0.80 HTR4 (0.38) ALDH1A1KDM4EMAPK1SMN1; SMN2GAA
SCHEMBL5318494 0.79 KDM4E (0.38) ALDH1A1KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL7354250 0.78 KDM4E (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL8690082 0.78 KDM4E (0.37) ALDH1A1KDM4EMAPK1SMN1; SMN2GAA
SCHEMBL7325147 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1SMN1; SMN2GAA
SCHEMBL8685016 0.76 PTGES (0.38) ALDH1A1KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL19888383 0.75 SMN1; SMN2 (0.44) ALDH1A1KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL8132698 0.74 MAPK1 (0.36) ALDH1A1KDM4EMAPK1ACVRL1HTT
SCHEMBL28358079 0.74 SMN1; SMN2 (0.45) ALDH1A1KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL4256804 0.73 GAA (0.49) ALDH1A1KDM4EMAPK1HTTSMN1; 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318742-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-11-27 US disclosed
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-02 US disclosed
US-8063070-B2 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2011-11-22 US disclosed
US-7790750-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 US disclosed
US-RE40793-E1 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-23 US disclosed
US-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A 2007-02-15 US disclosed
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A 2006-06-29 US disclosed
US-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A 2006-06-29 US disclosed
US-6800628-B2 SUCH AS (1-(2-((3-METHYL-2-PYRAZINYL)AMINO)ETHYL)-4-PIPERIDINYL)-METHYL-4-AMINO-5 -CHLORO-2,3-DIHYDRO-7-BENZOFURANCARBOXYLATE JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-05 US disclosed
US-20030153573-A1 Novel N-substituted 4-((-4'-aminobenzoyl)-oxymethyl)-piperidines having gastric prokinetic properties BOSMANS JEAN-PAUL RENE MARIE (BE) 2003-08-14 US disclosed
EP-0885190-B1 N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2003-05-07 EP disclosed
US-6509339-B2 Gastrointestinal disorders; cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 2003-01-21 US disclosed
EP-0991410-B1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-10-30 EP disclosed
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2002-07-04 US disclosed
EP-1206938-A1 Gastrokinetic bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)- piperdine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-22 EP disclosed
US-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE (BE) 2002-04-11 US disclosed
US-6291481-B1 CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTRIC EMPTYING AND MORE GENERALLY TO TREAT CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTROINTESTINAL TRANSIT. JANSSEN PHARMACEUTICA, N.V. (BE) 2001-09-18 US disclosed
EP-0885190-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-23 EP disclosed
WO-1997031897-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1997-09-04 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 (8 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-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 ALDH1A1 1585/4885KDM4E 1439/4885MAPK1 2971/4885
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 ALDH1A1 1440/4885KDM4E 1404/4885MAPK1 2951/4885
US-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives CBR1, ALK, ESRRA ALDH1A1 599/4885KDM4E 2219/4885MAPK1 1716/4885
US-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders HRH2, HRH4, GIPR ALDH1A1 2191/4885KDM4E 3734/4885MAPK1 2244/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 ALDH1A1 1428/4885KDM4E 1545/4885MAPK1 1895/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 ALDH1A1 766/4885KDM4E 876/4885MAPK1 2574/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC ALDH1A1 910/4885KDM4E 723/4885MAPK1 2386/4885
US-20030153573-A1 Novel N-substituted 4-((-4'-aminobenzoyl)-oxymethyl)-piperidines having gastric prokinetic properties GIPR, CRHR1, GRPR ALDH1A1 2235/4885KDM4E 3589/4885MAPK1 998/4885

“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.