SCHEMBL6262880

SCHEMBL6262880

O=C(O)c1cnn(-c2cccc3ncccc23)c1C1CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.74
SLC9A2 Q9UBY0 2/20 0.74
OPRM1 P35372 1/20 0.72
OPRD1 P41143 1/20 0.72
OPRK1 P41145 1/20 0.72
KEAP1 Q14145 4/20 0.56
NFE2L2 Q16236 4/20 0.56
MALT1 Q9UDY8 9/20 0.47
SLC2A1 P11166 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 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
Hydrochloric Acid SCHEMBL7686352 0.99 SLC9A1 (0.74) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6312530 0.92 SLC9A1 (0.62) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6669854 0.90 SLC9A1 (0.72) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6588864 0.87 SLC9A1 (0.68) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL13286332 0.85 SLC9A1 (0.69) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL611159 0.85 SLC9A1 (1.00) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL4461125 0.84 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL30148157 0.84 SLC9A1 (1.00) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Acetonitrile SCHEMBL6686974 0.84 SLC9A1 (0.65) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL6260017 0.84 SLC9A1 (0.98) SLC9A1SLC9A2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed
EP-1456181-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2004-09-15 EP claimed
US-6627643-B2 Sodium-hydrogen exchanger type 1 (NHE-1) inhibitors of formula I' are useful for the prevention and treatment of myocardial ischemic injury. Myocardial ischemic injury can occur in out-patient in perioperative settings and can lead to sudden PFIZER INC. 2003-09-30 US claimed
EP-1337508-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2003-08-27 EP claimed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US claimed
WO-2003051845-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-06-26 WO claimed
US-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER INC. 2003-06-26 US claimed
US-6441176-B1 N-(5-CYCLOPROPYL-1-QUINOLIN-5-YL-1H-PYRAZOLE-4-CARBONYL) -GUANIDINE; REACTING QUINOLIN-5-YL-HYDRAZINE AND METHYL-3-CYCLOPROPYL-2-DIMETHYLENAMINO-3-OXOPROPANOATE, HYDROYLZING, FORMING ACYLHALIDE AND FURTHER REACTING WITH GUANIDINE PFIZER INC. 2002-08-27 US claimed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US claimed
WO-2002044133-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 WO claimed
EP-1101763-A2 Method for preparing sodium-hydrogen exchanger type 1 inhibitor Pfizer Products Inc. (US) 2001-05-23 EP claimed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN claimed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP claimed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO claimed
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
WO-2005079803-A1 COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASES PFIZER PRODUCTS, INC. (US) 2005-09-01 WO disclosed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP disclosed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 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 (3 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-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS NHERF1, SLC9A1, SLC9A2 SLC9A1 2/4885SLC9A2 3/4885OPRM1 2537/4885
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors SLC9A1, NHERF1, SLC9A5 SLC9A1 1/4885SLC9A2 5/4885OPRM1 1965/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 SLC9A1 5/4885SLC9A2 12/4885OPRM1 2426/4885

“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.