SCHEMBL856326

SCHEMBL856326

COC(=O)c1ccc(NC(C)=O)c2c1OCCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 10/20 0.42
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GLA P06280 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
CDK1 P06493 1/20 0.37
CASP1 P29466 1/20 0.36
HTR4 Q13639 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
SCHEMBL506268 0.88 SMN1; SMN2 (0.44) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL5319541 0.85 KDM4E (0.41) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL7332522 0.84 KDM4E (0.40) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL1435901 0.82 SMN1; SMN2 (0.41) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL7351107 0.80 KDM4E (0.55) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL6848305 0.79 KDM4E (0.56) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL13603023 0.79 KDM4E (0.43) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL7396214 0.79 KDM4E (0.47) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL13315457 0.79 KDM4E (0.43) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL6369863 0.78 KDM4E (0.49) TDP1NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
EP-1641783-B1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2305254-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists for the treatment of gatrointestinal conditions Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists BOSMANS JEAN-PAUL RENE MARIE ANDRE 2010-04-08 US disclosed
US-7652040-B2 gastrointestinal disorders hypermotility, irritable bowel syndrome, constipation or diarrhea JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
EP-1641784-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-14 US disclosed
US-20060142339-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht 4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 US disclosed
EP-1641784-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
EP-1641783-A1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
WO-2005000838-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
WO-2005000837-A1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 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 (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-20060142339-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht 4-antagonists HTR4, HTR2B, HTR2C TDP1 4218/4885NPC1 4265/4885RAB9A 3826/4885
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists HTR4, HTR2B, HTR2C TDP1 4218/4885NPC1 4265/4885RAB9A 3826/4885
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists HTR4, HTR2B, HTR5A TDP1 4317/4885NPC1 3448/4885RAB9A 3858/4885

“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.