SCHEMBL645337

SCHEMBL645337

BrCc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
LTA4H P09960 1/20 0.50
PDE10A Q9Y233 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
CHRM5 P08912 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LOX P28300 1/20 0.41
TRPA1 O75762 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADAMTS4 O75173 1/20 0.39
GRM2 Q14416 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
P2RX3 P56373 1/20 0.38
SCN7A Q01118 2/20 0.38
KCNH2 Q12809 2/20 0.38
TLR4 O00206 1/20 0.38

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
SCHEMBL11143982 0.84 PTGS2 (0.57) PTGS2LTA4HPDE10ALOXL2NPC1
SCHEMBL1146160 0.82 LOXL2 (0.58) PTGS2LTA4HPDE10ALOXL2CHRM5
SCHEMBL5024073 0.82 PTGS2 (0.50) PTGS2LTA4HPDE10ALOXL2CHRM5
SCHEMBL3543339 0.82 LTA4H (0.58) PTGS2LTA4HPDE10ALOXL2CHRM5
SCHEMBL646795 0.82 LTA4H (0.50) PTGS2LTA4HPDE10ALOXL2CHRM5
SCHEMBL21054861 0.80 NPC1 (0.58) LTA4HALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL30518370 0.80 NPC1 (0.58) LTA4HALDH1A1NPC1CYP2D6CYP2C19
SCHEMBL568653 0.79 LTA4H (0.50) PTGS2LTA4HPDE10ALOXL2ALDH1A1
SCHEMBL147539 0.78 LOXL2 (0.52) PTGS2LTA4HPDE10ALOXL2ALDH1A1
SCHEMBL29610302 0.78 LOXL2 (0.52) PTGS2LTA4HPDE10ALOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
US-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates BAYER CROP SCIENCE AG (DE) 2008-02-14 US disclosed
US-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates BAYER CROP SCIENCE AG (DE) 2008-02-14 US disclosed
US-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates BAYER CROP SCIENCE AG (DE) 2008-02-14 US disclosed
EP-1794144-A2 PROCESSES FOR PREPATING N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND INTERMEDIATES Bayer CropScience AG (DE) 2007-06-13 EP disclosed
EP-1791828-A1 PROCESS FOR PREPARING N-(SUBSTITUTED ARYLMETHYL)-4-SUBSTITUTED-4- (DISUBSTITUTED METHYL) PIPERIDINES AND INTERMEDIATES Bayer CropScience AG (DE) 2007-06-06 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2006031674-A1 PROCESS FOR PREPARING N-(SUBSTITUTED ARYLMETHYL)-4-SUBSTITUTED-4- (DISUBSTITUTED METHYL) PIPERIDINES AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2006-03-23 WO disclosed
WO-2006031764-A2 PROCESSES FOR PREPATING N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2006-03-23 WO disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 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-20080039631-A1 Process For Preparing N-(Substituted Arylmethyl) -4-Substituted-4-(Disubstituted Methyl) Piperidines And Intermediates POF1B, ZRANB2, POU5F1 PTGS2 4214/4885LTA4H 4172/4885PDE10A 4077/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 PTGS2 4445/4885LTA4H 3599/4885PDE10A 188/4885

“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.