SCHEMBL3515063

SCHEMBL3515063

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC1A2 P43004 5/20 0.48
SLC1A1 P43005 5/20 0.48
SLC1A3 P43003 4/20 0.48
GRIK1 P39086 3/20 0.48
GRIK2 Q13002 3/20 0.48
SLC7A5 Q01650 1/20 0.46
ALDH1A1 P00352 1/20 0.41
CA2 P00918 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
SCHEMBL3515065 1.00 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13637318 1.00 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL31572071 0.86 SLC1A2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22418748 0.84 GRIK1 (0.53) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL21585632 0.84 GRIK1 (0.53) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL28611446 0.82 GPR84 (0.55) SLC1A2SLC1A1GRIK1GRIK2CYP3A4
SCHEMBL6760745 0.80 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13883453 0.80 SLC1A2 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12464317 0.80 CA1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7076350 0.80 CHRM1 (0.50) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080307585-A1 Fluorescent whitening agent, for whitening synthetic or natural organic materials, especially paper and for the fluorescent whitening and improvement of sun protection factors of textile materials CIBA SPECIALTY CHEMICALS CORP. 2008-12-18 US claimed
US-7351808-B2 Anionic monoazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-04-01 US claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20260014282-A1 METHODS OF FORMING RADIOPAQUE PEPTIDES FOR USE IN MEDICAL HYDROGELS BOSTON SCIENTIFIC SCIMED, INC. (US) 2026-01-15 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20180119151-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING DELIVERY FUNCTION AND GENE EXPRESSION REGULATING ABILITY BONAC CORPORATION (JP) 2018-05-03 US disclosed
US-20170306325-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE FOR REGULATING EXPRESSION OF GENE HAVING DELIVERING FUNCTION BONAC CORPORATION (JP) 2017-10-26 US disclosed
US-8765910-B2 Method for amidating polypeptides with basic amino acid C-terminals by means of specific endoproteases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-01 US disclosed
US-20100311112-A1 METHOD FOR AMIDATING POLYPEPTIDES WITH BASIC AMINO ACID C-TERMINALS BY MEANS OF SPECIFIC ENDOPROTEASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-12-09 US disclosed
US-7595198-B2 Photocleavable isotope-coded affinity tags AMBERGEN, INC. (US) 2009-09-29 US disclosed
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease PRIESTLEY E SCOTT (DE) 2004-07-29 US disclosed
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 US disclosed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed
US-4296095-A SALTS OF LYSINE ESTERS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1981-10-20 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 (7 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-20180119151-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING DELIVERY FUNCTION AND GENE EXPRESSION REGULATING ABILITY ZFX, ZFR, SRRT CHRM1 4717/4885AKR1A1 1638/4885CHRM3 4597/4885
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 CHRM1 4316/4885AKR1A1 2030/4885CHRM3 3480/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 CHRM1 4827/4885AKR1A1 2678/4885CHRM3 4838/4885
US-20260014282-A1 METHODS OF FORMING RADIOPAQUE PEPTIDES FOR USE IN MEDICAL HYDROGELS IAPP, NPPA, ARG1 CHRM1 1960/4885AKR1A1 4303/4885CHRM3 2306/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC CHRM1 4818/4885AKR1A1 2186/4885CHRM3 4825/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP CHRM1 3894/4885AKR1A1 3328/4885CHRM3 4024/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 CHRM1 4827/4885AKR1A1 18/4885CHRM3 4790/4885

“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.