SCHEMBL13315482

SCHEMBL13315482

N#Cc1cc2c(c(C(=O)O)c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.49
SLC22A12 Q96S37 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 4/20 0.36
PKM P14618 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL13315469 0.94 XDH (0.47) XDHSLC22A12SMN1; SMN2ALDH1A1PKM
SCHEMBL4734731 0.83 XDH (0.46) XDHSLC22A12SMN1; SMN2ALDH1A1PKM
SCHEMBL13315476 0.82 ALDH1A1 (0.49) XDHSLC22A12SMN1; SMN2ALDH1A1PKM
SCHEMBL4733923 0.80 XDH (0.53) XDHSLC22A12SMN1; SMN2ALDH1A1NPC1
SCHEMBL9053612 0.75 KDM4E (0.42) SMN1; SMN2ALDH1A1PKMKDM4ENPC1
SCHEMBL3164382 0.75 AKR1C4 (0.43) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL13315475 0.75 KDM4E (0.43) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4640445 0.75 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11267777 0.75 SMN1; SMN2 (0.41) XDHSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL13315481 0.75 PARP1 (0.46) SMN1; SMN2ALDH1A1PKMKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732464-B2 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-7732464-B2 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 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
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
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-23 US disclosed
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-23 US 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-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists HTR4, HTR2B, HTR5A XDH 3276/4885SLC22A12 1691/4885SMN1; SMN2 1706/4885

“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.