SCHEMBL1604360

SCHEMBL1604360

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
SLC1A3 P43003 2/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
CA2 P00918 2/20 0.34
MAPK1 P28482 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL587731 0.82 TSHR (0.46) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL5051493 0.82 TSHR (0.46) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL7392475 0.80 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28562438 0.79 CPB2 (0.42) HDAC1HDAC2ACACBACACATSHR
SCHEMBL28562441 0.79 CPB2 (0.42) HDAC1HDAC2ACACBACACATSHR
SCHEMBL20854183 0.78 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL20854296 0.78 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16078970 0.77 KMT2A (0.49) TDP1GRIK1GRIK2GPR84ALDH1A1
SCHEMBL10583434 0.77 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11837660 0.77 CHRM1 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718299-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS JR Chem, LLC (US) 2014-04-16 EP disclosed
US-8674088-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-8586744-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
WO-2012174076-A1 APPLIANCES AND COMPOSITIONS FOR ORAL USE AND METHODS FOR TREATING THE ORAL MUCOSA, LIPS, AND PERIORAL REGIONS JR CHEM, LLC (US) 2012-12-20 WO disclosed
WO-2012096839-A1 COMPOSITIONS FOR ANORECTAL USE AND METHODS FOR TREATING ANORECTAL DISORDERS JR CHEM, LLC (US) 2012-07-19 WO disclosed
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US 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-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA CHRM1 4810/4885AKR1A1 4759/4885CHRM3 4781/4885
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 CHRM1 4832/4885AKR1A1 4048/4885CHRM3 4637/4885

“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.