SCHEMBL6312653

SCHEMBL6312653

CCCCc1c(C(=O)OC)cnn1-c1cccc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 17/20 0.50
SLC9A1 P19634 3/20 0.49
SLC9A2 Q9UBY0 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL6312715 0.89 MALT1 (0.60) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL6313463 0.87 SLC9A1 (0.53) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL6313388 0.84 SLC9A1 (0.53) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL4455784 0.84 MALT1 (0.53) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL3716453 0.83 SLC9A1 (0.70) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6319934 0.83 MALT1 (0.52) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL6312521 0.83 SLC9A1 (0.54) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6319943 0.82 SLC9A1 (0.69) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL20265829 0.80 MALT1 (0.57) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL6318233 0.78 MALT1 (0.61) MALT1SLC9A1SLC9A2OPRM1OPRD1

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 MALT1 4089/4885SLC9A1 5/4885SLC9A2 12/4885

“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.