SCHEMBL209136

SCHEMBL209136

Clc1ccc2c(c1)C=[C]CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
MAP3K14 Q99558 1/20 0.32
ADRA2A P08913 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL207730 0.85 AHR (0.39) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL208268 0.77 HTR2C (0.34) HTR2CCYP19A1
SCHEMBL314910 0.73 MTNR1A (0.41) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL3199320 0.67 AHR (0.45) AHRMEN1KMT2AHTTMAPT
SCHEMBL28731386 0.67 MEN1 (0.51) AHRMEN1KMT2AHTTMAPT
SCHEMBL7298477 0.67 AHR (0.40) AHRMEN1KMT2AHTTMAPT
SCHEMBL386254 0.65 HTR2A (0.36) AHRALDH1A1HTR2CSMN1; SMN2ADRA2A
SCHEMBL209553 0.65 LMNA (0.40) AHRHTTMAPTLMNAHTR2C
SCHEMBL30804224 0.65 AHR (0.39) AHRMEN1KMT2AHTTMAPT
SCHEMBL8626959 0.65 MEN1 (0.49) AHRMEN1KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof SIMON FRASER UNIVERSITY (CA) 2011-12-08 US claimed
EP-2344452-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Simon Fraser University (CA) 2011-07-20 EP claimed
WO-2010037207-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2010-04-08 WO claimed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof SIMON FRASER UNIVERSITY (CA) 2011-12-08 US disclosed
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 US disclosed
EP-2344452-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Simon Fraser University (CA) 2011-07-20 EP disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1683800-A1 PROCESS FOR PRODUCING THIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 AHR 3301/4885MEN1 726/4885KMT2A 3495/4885
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof ENGASE, OGA, GPI AHR 3204/4885MEN1 2013/4885KMT2A 3655/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885MEN1 457/4885KMT2A 3485/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885MEN1 457/4885KMT2A 3485/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885MEN1 457/4885KMT2A 3485/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R AHR 2824/4885MEN1 602/4885KMT2A 3461/4885

“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.