SCHEMBL6312663

SCHEMBL6312663

O=C(O)c1cnn(-c2cccc3ccccc23)c1C1CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.71
SLC9A2 Q9UBY0 3/20 0.71
NFE2L2 Q16236 13/20 0.65
KEAP1 Q14145 12/20 0.65
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SPR P35270 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
SCHEMBL24760477 0.88 SLC9A1 (0.57) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6314100 0.83 SLC9A1 (0.70) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6314103 0.83 SLC9A1 (1.00) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6262880 0.83 SLC9A1 (0.74) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6319090 0.83 SLC9A1 (0.62) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
Hydrochloric Acid SCHEMBL6321402 0.83 SLC9A1 (0.69) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
Hydrochloric Acid SCHEMBL6321409 0.83 SLC9A1 (0.98) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
Hydrochloric Acid SCHEMBL7686352 0.82 SLC9A1 (0.74) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6313294 0.82 NFE2L2 (0.68) SLC9A1SLC9A2NFE2L2KEAP1OPRM1
SCHEMBL6320171 0.82 NFE2L2 (0.68) SLC9A1SLC9A2NFE2L2KEAP1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP disclosed
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 disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 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 (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-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 12/4885NFE2L2 450/4885

“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.