SCHEMBL2193077

SCHEMBL2193077

CN(C)C(=O)NCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA4 P43681 1/20 0.50
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
NAAA Q02083 1/20 0.36
ACHE P22303 7/20 0.36
RAB9A P51151 1/20 0.36
DNM1 Q05193 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL1447307 0.85
SCHEMBL3099807 0.85 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL14557556 0.84 PTGS1 (0.40) CHRNB2CHRNB4CHRNA4PTGS1KCNH2
SCHEMBL3091042 0.81 EPHX1 (0.52) CHRNB2CHRNB4CHRNA4ACHEDNM1
SCHEMBL9601255 0.81 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL10850963 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL2490154 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4TDP1CA2
SCHEMBL5385279 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL18632063 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL18665310 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1

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
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 EP disclosed
US-9150673-B2 Process for preparing (meth)acrylic esters BASF SE (DE) 2015-10-06 US disclosed
CN-102037050-B Heat-curing epoxy resin composition comprising an accelerator having a heteroatom SIKA TECHNOLOGY AG 2014-01-22 CN disclosed
US-20130178592-A1 PROCESS FOR PREPARING (METH)ACRYLIC ESTERS BASF SE (DE) 2013-07-11 US disclosed
US-8263371-B2 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSCHAFT (DE) 2012-09-11 US disclosed
US-7993886-B2 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSHAFT (DE) 2011-08-09 US disclosed
US-20110171697-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES BASF AKTIENGESELLSHAFT (DE) 2011-07-14 US disclosed
CN-102037050-A Heat-curing epoxy resin composition comprising an accelerator having a heteroatom SIKA TECHNOLOGY AG 2011-04-27 CN disclosed
US-20110067813-A1 HEAT-CURING EPOXY RESIN COMPOSITION COMPRISING AN ACCELERATOR HAVING HETEROATOMS SIKA TECHNOLOGY AG (CH) 2011-03-24 US disclosed
US-20110067813-A1 HEAT-CURING EPOXY RESIN COMPOSITION COMPRISING AN ACCELERATOR HAVING HETEROATOMS SIKA TECHNOLOGY AG (CH) 2011-03-24 US disclosed
US-20100285542-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES BASF AKTIENGESELLSHAFT (DE) 2010-11-11 US disclosed
US-7816485-B2 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSCHAFT (DE) 2010-10-19 US disclosed
WO-2009150059-A1 HEAT-CURING EPOXY RESIN COMPOSITION COMPRISING AN ACCELERATOR HAVING HETEROATOMS SIKA TECHNOLOGY AG (CH) 2009-12-17 WO disclosed
EP-2128182-A1 Heat hardened epoxy resin compound containing a catalyst with heteroatoms Sika Technology AG (CH) 2009-12-02 EP disclosed
US-20060036063-A1 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSCHAFT (DE) 2006-02-16 US disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 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 (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-20100285542-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES NAAA, APEH, NAA15 CHRNB2 3258/4885CHRNB4 3211/4885CHRNA4 2427/4885
US-20110171697-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES NAAA, APEH, NAA15 CHRNB2 3258/4885CHRNB4 3211/4885CHRNA4 2427/4885

“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.