SCHEMBL4473371

SCHEMBL4473371

CCCCN1CC[C@H](CN)[C@@H](O)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.53
GBA1 P04062 4/20 0.49
GUSB P08236 2/20 0.46
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
GBA2 Q9HCG7 7/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
BCHE P06276 1/20 0.40
UGCG Q16739 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
AGL P35573 1/20 0.38

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
SCHEMBL13607587 1.00 GLB1 (0.53) GLB1GBA1GUSBGNAI3GNAO1
SCHEMBL4473375 1.00 GLB1 (0.53) GLB1GBA1GUSBGNAI3GNAO1
SCHEMBL4473378 1.00 GLB1 (0.53) GLB1GBA1GUSBGNAI3GNAO1
SCHEMBL13610706 0.85 GBA1 (0.39) GLB1GBA1GUSB
SCHEMBL14610195 0.85 GBA1 (0.39) GLB1GBA1GUSB
SCHEMBL13600556 0.85 GBA1 (0.39) GLB1GBA1GUSB
SCHEMBL13607569 0.85 GBA1 (0.39) GLB1GBA1GUSB
SCHEMBL7703115 0.85 GBA1 (0.63) GLB1GBA1GUSBGBA2UGCG
SCHEMBL7703107 0.85 GBA1 (0.63) GLB1GBA1GUSBGBA2UGCG
SCHEMBL3713854 0.84 GBA1 (0.42) GLB1GBA1GUSBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-1638959-B1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA NV (BE) 2007-09-19 EP disclosed
EP-1641784-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-14 US disclosed
EP-1641784-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
EP-1638959-A1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-29 EP disclosed
WO-2005003122-A1 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
WO-2005000838-A1 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 (2 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-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides HTR4, HTR2B, TPH2 GLB1 3288/4885GBA1 2108/4885GUSB 4615/4885
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists HTR4, HTR2B, HTR5A GLB1 3567/4885GBA1 2069/4885GUSB 4787/4885

“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.