SCHEMBL470928

SCHEMBL470928

Cc1ncc(CN2CCOCC2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 3/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.44
CYP2A13 Q16696 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
CXCR4 P61073 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL9738718 0.86 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL12058781 0.86 POLB (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6839505 0.84 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL13865731 0.84 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL10891097 0.83 RECQL (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL12431740 0.82 POLB (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9071079 0.81 ALDH1A1 (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL26351824 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL4590541 0.81 ALDH1A1 (0.64) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL28975291 0.81 NPC1 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
EP-2768834-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-27 EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO disclosed
EP-0034481-A1 2-Methyl-5-thiazole-methylamine and carboxamide derivatives Grigg, Ronald Ernest (GB) 1981-08-26 EP 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SMN1; SMN2 1970/4885CYP1A2 2649/4885CYP3A4 1646/4885
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2484/4885CYP1A2 3059/4885CYP3A4 2827/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2271/4885CYP1A2 1857/4885CYP3A4 1905/4885
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR SMN1; SMN2 4361/4885CYP1A2 322/4885CYP3A4 1379/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B SMN1; SMN2 3300/4885CYP1A2 3657/4885CYP3A4 4694/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2197/4885CYP1A2 1508/4885CYP3A4 1641/4885

“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.