SCHEMBL543285

SCHEMBL543285

CC(=O)c1cccn1CCBr

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAOB P27338 1/20 0.35
MAP3K14 Q99558 1/20 0.35
MAPK1 P28482 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1938751 0.83 LMNA (0.42) LMNAMEN1ALDH1A1MAPTALOX12
SCHEMBL10512812 0.83 CNR2 (0.40) CNR2LMNAMEN1ALDH1A1MAPT
SCHEMBL9688839 0.81 SMN1; SMN2 (0.44) CNR2LMNAMEN1ALDH1A1MAPT
SCHEMBL18322299 0.81 KDM4E (0.41) CNR2LMNAMEN1ALDH1A1MAPT
SCHEMBL10536893 0.80 CNR2 (0.38) CNR2LMNAMEN1ALDH1A1MAPT
SCHEMBL5252375 0.80 CNR2 (0.43) CNR2LMNAMEN1ALDH1A1MAPT
SCHEMBL28703124 0.79 HTT (0.44) CNR2LMNAMEN1ALDH1A1MAPT
SCHEMBL3998515 0.79 CNR2 (0.42) CNR2LMNAMEN1ALDH1A1MAPT
SCHEMBL28709452 0.79 CNR2 (0.45) CNR2MEN1KMT2AKDM4E
SCHEMBL3504148 0.79 LMNA (0.41) CNR2LMNAMEN1ALDH1A1MAPT

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-8558009-B2 Pyrroles having hypolipidemic hypocholesteremic activities, process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2013-10-15 US disclosed
US-8212057-B2 Pyrroles having hypolipidemic hypocholesteremic activities, process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2012-07-03 US disclosed
US-8110598-B2 (+-) Ethyl 3-{4-[2-(pyrrol-1-yl)ethoxy]phenyl}-2-ethoxypropanoate; hyperlipidaemia, hypercholesteremia, hyperglycemia, obesity, impaired glucose intolerance, leptin resistance, insulin resistance, reducing plasma glucose, triglycerides, total cholesterol, LDL, VLDL or free fatty acids in the plasma CADILA HEALTHCARE LIMITED (IN) 2012-02-07 US disclosed
US-20110275669-A1 Novel pyrroles having hypolipidemic hypocholesteremic activities, process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILLA HEALTHCARE LIMITED (IN) 2011-11-10 US disclosed
EP-1414439-B1 NOVEL PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CADILA HEALTHCARE LTD (IN) 2011-05-04 EP disclosed
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CADILLA HEALTHCARE LIMITED (IN) 2008-08-07 US disclosed
US-7323491-B2 Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2008-01-29 US disclosed
US-20070238776-A1 Novel Pyrroles Having Hypolipidemic Hypocholesteremic Activities, Process for Their Preparation and Pharmaceutical Compositions Containing Them and Their Use in Medicine CADILLA HEALTHCARE LIMITED (IN) 2007-10-11 US disclosed
US-7041837-B2 Heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILLA HEALTHCARE LIMITED (IN) 2006-05-09 US disclosed
US-6987123-B2 Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2006-01-17 US disclosed
US-20040186099-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine LOHRAY BRAJ BHUSHAN (IN) 2004-09-23 US disclosed
US-20030236254-A1 Novel heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2003-12-25 US disclosed
US-20030199498-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED 2003-10-23 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 (6 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-20030199498-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CYP11B2, CYP11B1, MAPT CNR2 833/4885LMNA 1550/4885MEN1 776/4885
US-20110275669-A1 Novel pyrroles having hypolipidemic hypocholesteremic activities, process for their preparation and pharmaceutical compositions containing them and their use in medicine CETP, LIPA, LIPC CNR2 1597/4885LMNA 1461/4885MEN1 2099/4885
US-20070238776-A1 Novel Pyrroles Having Hypolipidemic Hypocholesteremic Activities, Process for Their Preparation and Pharmaceutical Compositions Containing Them and Their Use in Medicine LIPC, CETP, PNLIP CNR2 1864/4885LMNA 1728/4885MEN1 4085/4885
US-20040186099-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CYP11B2, CYP11B1, MAPT CNR2 833/4885LMNA 1550/4885MEN1 776/4885
US-20030236254-A1 Novel heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine LIPA, LIPC, CYP46A1 CNR2 316/4885LMNA 578/4885MEN1 2436/4885
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CYP11B2, MAPT, CYP11B1 CNR2 747/4885LMNA 1495/4885MEN1 1181/4885

“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.