SCHEMBL3175103

SCHEMBL3175103

O=C(O)N1CCN(c2ccc(-n3cn[nH]c3=O)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.57
▸ ME2 P23368 3/20 0.39
▸ ME1 P48163 3/20 0.39
▸ ME3 Q16798 3/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TRPV1 Q8NER1 4/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 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
SCHEMBL3034991 0.84 GPR119 (0.45) GPR119AKR1C3ALDH1A1HSD17B10KMT2A
SCHEMBL7878334 0.84 SMN1; SMN2 (0.56) GPR119ALDH1A1GAAHSD17B10RAB9A
Bromide SCHEMBL8927591 0.81 GPR119 (0.79) GPR119ALDH1A1GAAHSD17B10KMT2A
SCHEMBL8927585 0.80 GPR119 (0.57) GPR119ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL8931663 0.78 GPR119 (0.55) GPR119ALDH1A1GAAL3MBTL1NPC1
SCHEMBL8931661 0.75 GPR119 (0.52) GPR119ALDH1A1NPC1RAB9AKMT2A
SCHEMBL8931671 0.75 GPR119 (0.51) GPR119ALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL8931690 0.73 GPR119 (0.58) GPR119ALDH1A1GAANPC1RAB9A
SCHEMBL21551525 0.72 ME2 (0.66) ME2ME1ME3AKR1C3ALDH1A1
SCHEMBL3208482 0.71 AKR1C3 (0.68) ME2ME1ME3AKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816360-B2 Microsomal triglyceride transfer protein (MTP) inhibitors, used for the treatment of atherosclerosis, pancreatitis, obesity, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and non-insulin dependent diabetes JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 — — US disclosed
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES MEERPOEL LIEVEN 2010-01-07 — — US disclosed
US-7504400-B2 for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes; apolipoprotein B secretion inhibitors also for lipid lowering activity; compounds can selectively block MTP at the level of the gut wall in mammals JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
EP-1751131-B1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA NV (BE) 2008-11-19 — — EP disclosed
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 — — US disclosed
EP-1751131-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-14 — — EP disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 — — 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-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL GPR119 40/4885ME2 2841/4885ME1 3778/4885
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES PNLIP, LPL, APOB GPR119 73/4885ME2 2799/4885ME1 3244/4885

“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.

Send feedback