SCHEMBL6312530

SCHEMBL6312530

O=C(O)c1cnn(-c2ccnc3ccccc23)c1C1CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.62
SLC9A2 Q9UBY0 3/20 0.62
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
OPRK1 P41145 1/20 0.61
KEAP1 Q14145 5/20 0.61
NFE2L2 Q16236 5/20 0.61
CAMKK1 Q8N5S9 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.43
MALT1 Q9UDY8 3/20 0.43
SLC2A1 P11166 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL6262880 0.92 SLC9A1 (0.74) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7686352 0.91 SLC9A1 (0.74) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL4456220 0.85 SLC9A1 (0.86) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6315017 0.84 SLC9A1 (0.87) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL4456213 0.84 SLC9A1 (0.61) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6315010 0.83 SLC9A1 (0.61) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6312663 0.81 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6669854 0.81 SLC9A1 (0.72) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6320763 0.80 SLC9A1 (0.60) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6588864 0.79 SLC9A1 (0.68) 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 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 12/4885OPRM1 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.