SCHEMBL5286582

SCHEMBL5286582

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 7/20 0.67
SLC1A1 P43005 7/20 0.67
SLC1A3 P43003 6/20 0.67
GRIK1 P39086 4/20 0.67
GRIK2 Q13002 4/20 0.67
SLC7A5 Q01650 1/20 0.54
ALDH1A1 P00352 1/20 0.47
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GGT1 P19440 2/20 0.45

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
SCHEMBL3256590 0.85 GRIK1 (0.70) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL2150798 0.84 ENPEP (0.54) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL26134019 0.84 GRIK1 (0.71) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL28762252 0.84 GRIK1 (0.71) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL16577958 0.82 SLC1A2 (0.55) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL30608162 0.82 SLC1A2 (0.55) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL3514785 0.81 SLC1A2 (0.64) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL3514787 0.81 SLC1A2 (0.64) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL27399381 0.81 GGT1 (0.54) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
Norvaline SCHEMBL38404 0.80

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
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 US disclosed
US-6846806-B2 Peptide inhibitors of Hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-25 US disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 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
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO 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-4000259-A DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-28 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 (4 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 SLC1A2 3427/4885SLC1A1 2630/4885SLC1A3 2604/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 SLC1A2 4572/4885SLC1A1 3627/4885SLC1A3 3680/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC SLC1A2 4593/4885SLC1A1 3577/4885SLC1A3 3645/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 SLC1A2 4117/4885SLC1A1 3301/4885SLC1A3 3020/4885

“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.