SCHEMBL5370855

SCHEMBL5370855

CCO[C@@H]1CN(C(=O)O)CC[C@H]1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CHRM1 P11229 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CPN1 P15169 1/20 0.31

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
SCHEMBL5370851 1.00 GAA (0.40) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL5370844 1.00 GAA (0.40) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL18298200 0.85 GAA (0.32) GAA
SCHEMBL3279837 0.84 OPRK1 (0.35) GAA
SCHEMBL3279842 0.84 OPRK1 (0.35) GAA
SCHEMBL3279840 0.84 OPRK1 (0.35) GAA
SCHEMBL2848032 0.81 GAA (0.38) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL2848035 0.81 GAA (0.38) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL3230941 0.78 GAA (0.38) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL10874165 0.77 GABRR1 (0.35) GAAALDH1A1CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205410-B2 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 US disclosed
EP-1140915-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES FOR TREATING GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2005-06-15 EP disclosed
US-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-09-25 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

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-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders HRH2, ALK, CBR1 GAA 1370/4885NOS3 798/4885NOS2 1348/4885

“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.