SCHEMBL3860561

SCHEMBL3860561

CCCC(NCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FPR2 P25090 1/20 0.45
FOLH1 Q04609 4/20 0.40
NAALAD2 Q9Y3Q0 3/20 0.40
RIMKLA Q8IXN7 1/20 0.40
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL3860564 1.00 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL5822580 0.98 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3861604 0.86 CA2 (0.48) HDAC2FOLH1NOD1SLC1A3SLC1A2
SCHEMBL3861605 0.86 CA2 (0.48) HDAC2FOLH1NOD1SLC1A3SLC1A2
SCHEMBL21689984 0.85 GPR84 (0.50) FOLH1NOD1GRIK1SLC1A2SLC1A1
SCHEMBL23130995 0.84 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8413851 0.84 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL148236 0.84 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22891943 0.84 FOLH1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23374706 0.84 FOLH1 (0.39) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461332-A2 PRODUCTION OF CHIRALLY PURE ALPHA-AMINO ACIDS AND N-SULFONYL ALPHA-AMINO ACIDS Wyeth (US) 2004-09-29 EP claimed
US-6657070-B2 Such as N-((5-chloro-2-thienyl)sulfonyl)-3-ethylnorvaline and 5-chloro-N-((S)-2-ethyl-1-formylbutyl)thiophene-2-sulfonamide via reacting aldehyde, cyanide salt, and alpha-methylbenzylamine WYETH 2003-12-02 US claimed
WO-2003050062-A2 PRODUCTION OF CHIRALLY PURE α-AMINO ACIDS ADN N-SULFONYL α-AMINO ACIDS WYETH (US) 2003-06-19 WO claimed
US-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids WYETH 2003-01-16 US claimed
EP-4172180-A1 USES, METHODS AND PRODUCTS RELATING TO OLIGOMERIC LIPOPOLYSACCHARIDE BINDING PROTEINS Universitetet I Oslo (NO) 2023-05-03 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2021260144-A1 USES, METHODS AND PRODUCTS RELATING TO OLIGOMERIC LIPOPOLYSACCHARIDE BINDING PROTEINS UNIVERSITETET I OSLO (NO) 2021-12-30 WO disclosed
WO-2016090305-A1 SOLID-PHASE SYNTHESIS OF PEPTIDES CONTAINING BULKY DEHYDROAMINO ACIDS CASTLE STEVEN L (US) 2016-06-09 WO disclosed
WO-2015011615-A1 MIXTURES COMPRISING A TRICHODERMA STRAIN AND A PESTICIDE BASF CORPORATION (US) 2015-01-29 WO disclosed
EP-2471363-A1 Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants Bayer CropScience AG (DE) 2012-07-04 EP disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 WO disclosed
CN-1901797-A Biological immune-aggressin composition for inhibiting xanthomonas infection in crops BIOSYS CORP (US) 2007-01-24 CN disclosed
EP-1718144-A2 BIOIMMUNE-AGGRESSIN COMPOSITION FOR SUPPRESSION OF XANTHOMONAD INFECTIONS IN AGRICULTURE CROPS BIOSYS CORPORATION (US) 2006-11-08 EP disclosed
US-20060165818-A1 Bioimmune-aggressin composition for suppression of Xanthomonad infections in agriculture crops BIOSYS CORPORATION 2006-07-27 US disclosed
EP-1677816-A1 THERAPEUTIC METHOD MONASH UNIVERSITY (AU) 2006-07-12 EP disclosed
WO-2006056009-A1 PEPTIDES HAVING ADHESIVE PROPERTIES FOR USE IN SOLID PHASE ASSAY AND CHEMICAL POLYMER SYNTHESIS REGIMES. HEPGENICS PTY LTD (AU) 2006-06-01 WO disclosed
WO-2005069790-A2 BIOIMMUNE-AGGRESSIN COMPOSITION FOR SUPPRESSION OF XANTHOMONAD INFECTIONS IN AGRICULTURE CROPS BIOSYS CORPORATION (US) 2005-08-04 WO disclosed
US-20050153005-A1 Bioimmune-aggressin composition for suppression of xanthomonad infections in agriculture crops BIOSYS CORPORATION 2005-07-14 US disclosed
WO-2005032578-A1 THERAPEUTIC METHOD MONASH UNIVERSITY (AU) 2005-04-14 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-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids DNPEP, EDNRB, PNMT CHRM1 237/4885AKR1A1 820/4885CHRM3 255/4885

“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.