SCHEMBL1055010

SCHEMBL1055010

COC(=O)c1cc(F)cc2c1OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
PLK1 P53350 1/20 0.43
PARP1 P09874 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL13315465 0.94 ALDH1A1 (0.47) KDM4EALDH1A1PLK1PARP1MAPT
SCHEMBL13315474 0.83 ALDH1A1 (0.54) KDM4EALDH1A1PLK1MAPTPOLB
SCHEMBL31160025 0.81 KDM4E (0.60) KDM4EALDH1A1PLK1MAPTPOLB
SCHEMBL1056103 0.81 KDM4E (0.60) KDM4EALDH1A1PLK1MAPTPOLB
SCHEMBL19124972 0.81 KDM4E (0.53) KDM4EALDH1A1PLK1MAPTPOLB
SCHEMBL13315481 0.80 PARP1 (0.46) KDM4EALDH1A1PLK1PARP1MAPT
SCHEMBL13620519 0.78 KDM4E (0.46) KDM4EALDH1A1PARP1MAPTPOLB
SCHEMBL13315477 0.78 KDM4E (0.49) KDM4EALDH1A1PLK1MAPTPOLB
SCHEMBL13315476 0.78 ALDH1A1 (0.49) KDM4EALDH1A1PLK1MAPTPOLB
SCHEMBL4352279 0.78 ALDH1A1 (0.49) KDM4EALDH1A1PLK1MAPTPOLB

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 15 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
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
US-7872014-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-01-18 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-7732464-B2 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US 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-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
EP-1648455-A4 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-03-04 EP 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
US-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2007-02-08 US disclosed
EP-1648455-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-04-26 EP disclosed
WO-2005009389-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-02-03 WO disclosed
WO-2005003124-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS 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 (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-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use ALK, MALT1, BCL6 KDM4E 627/4885ALDH1A1 1285/4885PLK1 425/4885
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists HTR4, HTR2B, HTR5A KDM4E 446/4885ALDH1A1 821/4885PLK1 2710/4885
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists HTR4, HTR2B, HTR2C KDM4E 199/4885ALDH1A1 1067/4885PLK1 2297/4885

“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.