SCHEMBL4471489

SCHEMBL4471489

COC(=O)c1cc(Cl)c(OC)c2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.42
HTR4 Q13639 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GALK1 P51570 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
TARBP2 Q15633 1/20 0.38
HTR2C P28335 3/20 0.38
HTR3A P46098 3/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2C P18825 2/20 0.38
HTR1D P28221 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1A P35348 2/20 0.38
HTR2B P41595 2/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL4474510 0.86 TPMT (0.44) KDM4EALDH1A1GAAHPGDHTR4
SCHEMBL14810489 0.82 HTR4 (0.58) KDM4EALDH1A1GAAHTR4LMNA
SCHEMBL4471890 0.81 TPMT (0.42) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL8295673 0.79 PARP1 (0.39) KDM4EALDH1A1GAAHPGDHTR4
SCHEMBL13315460 0.79 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDHTR4
SCHEMBL11259203 0.77 KDM4E (0.47) KDM4EALDH1A1GAALMNAHSD17B10
SCHEMBL8296331 0.77 ALDH1A1 (0.39) KDM4EALDH1A1GAAHPGDHTR4
SCHEMBL15502345 0.76 KDM4E (0.47) KDM4EALDH1A1GAALMNAHSD17B10
SCHEMBL30956754 0.76 TARBP2 (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL13603003 0.76 KDM4E (0.55) KDM4EALDH1A1GAAHPGDHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635706-B2 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
US-7635706-B2 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
US-7635706-B2 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
EP-1638959-B1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA NV (BE) 2007-09-19 EP disclosed
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
EP-1638959-A1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-29 EP disclosed
WO-2005003122-A1 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 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 (1 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-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides HTR4, HTR2B, TPH2 KDM4E 666/4885ALDH1A1 854/4885GAA 3173/4885

“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.