SCHEMBL4145433

SCHEMBL4145433

COc1cc(CN2CCOCC2)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
LMNA P02545 1/20 0.58
TRPV6 Q9H1D0 2/20 0.56
PDE4B Q07343 2/20 0.54
SHBG P04278 2/20 0.54

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
SCHEMBL28290185 0.88 HTT (0.70) HTTSMN1; SMN2ALDH1A1KDM4EPDE4B
SCHEMBL3377350 0.86 GAA (0.67) HTTALDH1A1KDM4EMAPTNPSR1
SCHEMBL16884088 0.86 HTT (0.76) HTTSMN1; SMN2ALDH1A1KDM4EPDE4B
SCHEMBL4150936 0.85 GAA (0.69) HTTALDH1A1KDM4EMAPTNPSR1
SCHEMBL9996727 0.84 KDM4E (0.64) HTTALDH1A1KDM4EMAPTNPSR1
SCHEMBL10899727 0.83 GAA (0.71) HTTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL29788564 0.82 HTT (0.66) HTTSMN1; SMN2ALDH1A1PDE4B
SCHEMBL521236 0.82 HTT (0.66) HTTSMN1; SMN2ALDH1A1PDE4B
SCHEMBL14514871 0.82 HTT (0.66) HTTSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL1014420 0.81 HTT (0.60) HTTSMN1; SMN2ALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2582699-A1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
EP-1910334-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS Exonhit Therapeutics SA (FR) 2008-04-16 EP disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 WO disclosed
EP-1746092-A1 Compounds and methods for treatment of amyloid-B-peptide related disorders Exonhit Therapeutics SA (FR) 2007-01-24 EP disclosed
EP-1746092-A1 Compounds and methods for treatment of amyloid-B-peptide related disorders Exonhit Therapeutics SA (FR) 2007-01-24 EP disclosed
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR HTT 1703/4885SMN1; SMN2 188/4885ALDH1A1 847/4885
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders APP, BACE1, IAPP HTT 33/4885SMN1; SMN2 1581/4885ALDH1A1 3075/4885

“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.