SCHEMBL3226344

SCHEMBL3226344

CCCC(C)C=C(C)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
METAP1 P53582 1/20 0.31
GRIK1 P39086 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
SCHEMBL3226335 1.00 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL554945 0.83 KDM4E (0.33) TDP1CA1CA2
SCHEMBL1786546 0.83 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1786543 0.83 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL554943 0.83 KDM4E (0.33) TDP1CA1CA2
SCHEMBL4045909 0.81 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4045908 0.81 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6513873 0.79 GRIK1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3868756 0.79 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6530950 0.79 GRIK1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303943-B2 Ampholytic copolymer based on quaternized nitrogen-containing monomers BASF SE (DE) 2012-11-06 US disclosed
US-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2010-03-18 US disclosed
EP-2064253-B1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2009-11-18 EP disclosed
WO-2009103735-A1 COMPOSITION CONTAINING AN AMPHOLYTIC COPOLYMER ON THE BASIS OF QUATERNISED MONOMERS CONTAINING NITROGEN AND AT LEAST ONE POLYMER THAT DIFFERS FROM SAID COPOLYMER, AND USE THEREOF BASF SE (DE) 2009-08-27 WO disclosed
EP-2064253-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008031892-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2008-03-20 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 (1 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-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS NGLY1, NAAA, NIT2 CHRM1 486/4885AKR1A1 1529/4885CHRM3 829/4885

“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.