SCHEMBL505509

SCHEMBL505509

CC(C)(C)C1C(O)C(CN)CCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.32
GABRR2 P28476 1/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
RIPK1 Q13546 1/20 0.31
DPP4 P27487 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL6102565 1.00 GABRR1 (0.32) GABRR1GABRR2PLGPLATLMNA
SCHEMBL8197140 1.00 GABRR1 (0.32) GABRR1GABRR2PLGPLATLMNA
SCHEMBL506328 0.89 RIPK1 (0.31) RIPK1
SCHEMBL6476 0.88 GABRR1 (0.34) GABRR1GABRR2PLGPLATLMNA
SCHEMBL3102587 0.88 GABRR1 (0.34) GABRR1GABRR2PLGPLATLMNA
SCHEMBL2273461 0.88 GABRR1 (0.34) GABRR1GABRR2PLGPLATLMNA
SCHEMBL6017 0.88 GABRR1 (0.34) GABRR1GABRR2PLGPLATLMNA
SCHEMBL860060 0.81 RIPK1 (0.33) LMNARIPK1
SCHEMBL3058485 0.81 RIPK1 (0.32) LMNARIPK1DPP4
SCHEMBL791000 0.81 RIPK1 (0.33) LMNARIPK1

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
US-8318742-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-11-27 US disclosed
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-02 US disclosed
US-8063070-B2 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2011-11-22 US 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-7790750-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 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-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
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-23 US disclosed
US-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A 2007-02-15 US 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

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-20060142339-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht 4-antagonists HTR4, HTR2B, HTR2C GABRR1 638/4885GABRR2 538/4885PLG 2378/4885
US-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders HRH2, HRH4, GIPR GABRR1 36/4885GABRR2 55/4885PLG 3498/4885
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists HTR4, HTR2B, HTR5A GABRR1 494/4885GABRR2 435/4885PLG 2746/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 GABRR1 422/4885GABRR2 414/4885PLG 1766/4885
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists HTR4, HTR2B, HTR5A GABRR1 462/4885GABRR2 415/4885PLG 2735/4885

“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.