SCHEMBL7160645

SCHEMBL7160645

NCCCC[C@H](N)C(=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.51
NLN Q9BYT8 3/20 0.48
CPB2 Q96IY4 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC7A5 Q01650 1/20 0.48

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
SCHEMBL29444049 0.81 SLC15A2 (0.65) SLC15A2
SCHEMBL28312067 0.79 SLC15A2 (0.46) SLC15A2NLNCPB2CYP3A4SLC7A5
SCHEMBL29867441 0.79 SLC15A2 (0.62) SLC15A2CPB2CYP3A4SLC7A5
SCHEMBL29429285 0.78 CYP3A4 (0.59) NLNCYP3A4SLC7A5
Histidine SCHEMBL27986330 0.78 CYP3A4 (0.76) SLC15A2CPB2CYP3A4SLC7A5
SCHEMBL27432299 0.77 CYP3A4 (0.66) NLNCYP3A4SLC7A5
SCHEMBL18862447 0.77 CYP3A4 (0.61) NLNCYP3A4SLC7A5
Histidine SCHEMBL28204033 0.77 CYP3A4 (0.74) SLC15A2CPB2CYP3A4SLC7A5
SCHEMBL30409074 0.76 SLC15A2 (0.71) SLC15A2CPB2CYP3A4SLC7A5
SCHEMBL28027302 0.76 SLC15A2 (0.71) SLC15A2CPB2CYP3A4SLC7A5

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 18 patents. 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
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
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
WO-1999024038-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 1999-05-20 WO disclosed
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 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-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 SLC15A2 1903/4885NLN 361/4885CPB2 400/4885

“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.