SCHEMBL6497247

SCHEMBL6497247

N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.57
OPRM1 P35372 5/20 0.56
OPRD1 P41143 2/20 0.54
OPRK1 P41145 1/20 0.54
NPFFR1 Q9GZQ6 1/20 0.51
NPFFR2 Q9Y5X5 1/20 0.51

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
SCHEMBL6850160 1.00 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL2778544 1.00 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL2119635 1.00 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL2778546 1.00 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL29391128 0.97 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL1053800 0.97 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL4960887 0.97 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL28204655 0.97 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL6026166 0.97 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL3462001 0.97 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506628-B1 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances SIGMA TAU IND FARMACEUTI (IT) 1996-09-18 EP claimed
EP-0506628-A2 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-09-30 EP claimed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP claimed
CN-114295821-B Laboratory interstitial evaluation sample of thrombus elastography experiment reagent, and preparation method and application thereof 深圳麦科田生物医疗技术股份有限公司 2024-11-12 CN disclosed
US-6903107-B1 Serine protease inhibitor AKZO NOBEL N.V. (NL) 2005-06-07 US disclosed
US-20030186998-A1 Methods for treatment of disorders of cardiac contractility JOHN HOPKINS UNIVERSITY 2003-10-02 US disclosed
US-6569862-B1 Adminstering xanthine oxidase inhibitor such as allopurinol JOHNS HOPKINS UNIVERSITY 2003-05-27 US disclosed
EP-1044002-A4 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY UNIV JOHNS HOPKINS (US) 2003-05-02 EP disclosed
EP-1123280-A1 SERINE PROTEASE INHIBITOR Akzo Nobel N.V. (NL) 2001-08-16 EP disclosed
US-6191136-B1 ADMINISTERING XANTHINE OXIDASE INHIBITOR JOHNS HOPKINS UNIVERSITY 2001-02-20 US disclosed
EP-1044002-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 2000-10-18 EP disclosed
US-5298621-A Peptides endcapped with purine derivative SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-03-29 US disclosed
US-5298621-A Peptides endcapped with purine derivative SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-03-29 US disclosed
US-5272151-A Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-12-21 US disclosed
US-5272151-A Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-12-21 US disclosed
EP-0506628-A3 AMINOACYL AND OLIGOPEPTIDYL DERIVATIVES OF ALLOPURINOL EXHIBITING IMMUNOSTIMULATORY ACTIVITY, AND PHARMACEUTICAL FORMULATIONS CONTAINING THESE SUBSTANCES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-10-21 EP disclosed
EP-0506628-A2 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-09-30 EP disclosed
EP-0506628-A2 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-09-30 EP disclosed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP disclosed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP 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-20030186998-A1 Methods for treatment of disorders of cardiac contractility TNNI3, TNNT2, RYR2 F2 1627/4885OPRM1 3038/4885OPRD1 2689/4885

“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.