SCHEMBL3013365

SCHEMBL3013365

O=C(O)N1CC[C@@H](CNCc2ccccc2)[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.47
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTR2C P28335 1/20 0.43
MAN1B1 Q9UKM7 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
DPP4 P27487 1/20 0.43
GRIN2B Q13224 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40

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
SCHEMBL4490032 1.00 CXCR4 (0.47) CXCR4NPSR1KMT2AMEN1HTR2C
SCHEMBL3013360 1.00 CXCR4 (0.47) CXCR4NPSR1KMT2AMEN1HTR2C
SCHEMBL3013363 1.00 CXCR4 (0.47) CXCR4NPSR1KMT2AMEN1HTR2C
SCHEMBL3280519 1.00 CXCR4 (0.47) CXCR4NPSR1KMT2AMEN1HTR2C
SCHEMBL8298357 0.86 CXCR4 (0.46) CXCR4NPSR1KMT2AMEN1HTR2C
SCHEMBL505521 0.85 KDM4E (0.51)
SCHEMBL856875 0.85 KDM4E (0.51)
SCHEMBL14721003 0.83 CXCR4 (0.58) CXCR4NPSR1KMT2AMEN1HDAC3
SCHEMBL8501612 0.80 CXCR4 (0.66) CXCR4NPSR1KMT2AMEN1HDAC3
SCHEMBL23522808 0.80 SMN1; SMN2 (0.47) KMT2AMEN1DPP4GRIN2BALDH1A1

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 40 patents — showing the first 20. 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-1641782-B1 HYDROXYCARBONYLPHENYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-11-03 EP disclosed
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 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-7652040-B2 gastrointestinal disorders hypermotility, irritable bowel syndrome, constipation or diarrhea JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 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-1638961-B1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-18 EP disclosed
US-RE40793-E1 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-23 US disclosed
US-7498347-B2 Hydroxycarbonylphenyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-03 US disclosed
US-6750349-B2 SUPERIOR GASTROKINETIC PROPERTIES JANSSEN PHARMACEUTICS, N.V. (BE) 2004-06-15 US disclosed
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2004-03-25 US disclosed
EP-1000028-B1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-26 EP disclosed
US-6635643-B2 For treating conditions which are related to impairment of gastric emptying JANSSEN PHARMACEUTICA, N.V. (BE) 2003-10-21 US disclosed
US-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-04-24 US disclosed
US-6544997-B1 E.g., hypermotility, irritable bowel syndrome, bowel hypersensitivity and the reduction of pain associated with gastrointestinal hypersensitivity and/or hyperactivity JANSSEN PHARMACEUTICA, N.V. (BE) 2003-04-08 US disclosed
EP-0991410-B1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-10-30 EP disclosed
US-6452013-B1 FOR TREATING CONDITIONS WHICH ARE RELATED TO IMPAIRMENT OF GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-17 US disclosed
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2002-07-04 US disclosed
EP-1206938-A1 Gastrokinetic bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)- piperdine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-22 EP 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 (5 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-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, ALK, CBR1 CXCR4 2025/4885NPSR1 532/4885KMT2A 2566/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 CXCR4 1527/4885NPSR1 97/4885KMT2A 2330/4885
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists HTR4, HTR2B, HTR2C CXCR4 1991/4885NPSR1 49/4885KMT2A 478/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC CXCR4 4685/4885NPSR1 656/4885KMT2A 1633/4885
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives ALK, HRH2, CBR1 CXCR4 1978/4885NPSR1 337/4885KMT2A 2388/4885

“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.