SCHEMBL4471890

SCHEMBL4471890

COc1c(Cl)cc(C(=O)O)c2c1OCCCO2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.42
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
APEX1 P27695 1/20 0.36
NOTUM Q6P988 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.34
ACLY P53396 1/20 0.34

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 0.94 TPMT (0.44) TPMTALDH1A1LMNAHTTMEN1
SCHEMBL8295673 0.87 PARP1 (0.39) TPMTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4471489 0.81 KDM4E (0.44) ALDH1A1LMNAHTTHPGDKDM4E
SCHEMBL13315461 0.80 SMN1; SMN2 (0.44) ALDH1A1HTTMEN1HPGDKMT2A
SCHEMBL8296344 0.77 SMN1; SMN2 (0.49) ALDH1A1HTTMEN1HPGDKMT2A
SCHEMBL11267450 0.74 KDM4E (0.39) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL7318609 0.72 HSD17B10 (0.36) TPMTALDH1A1LMNAHTTMEN1
SCHEMBL27859515 0.72 TPMT (0.53) TPMTALDH1A1LMNAHTTMEN1
SCHEMBL13315460 0.72 ALDH1A1 (0.41) ALDH1A1LMNAHTTMEN1HPGD
SCHEMBL11269317 0.71 CA1 (0.42) TPMTALDH1A1LMNASMN1; SMN2KDM4E

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 TPMT 1250/4885ALDH1A1 854/4885LMNA 3756/4885

“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.