SCHEMBL928773

SCHEMBL928773

Cc1nc2c(cc1C(=O)NC(=N)N)C(OS(=O)(=O)O)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
ACHE P22303 4/20 0.32

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
SCHEMBL928776 0.92 SLC9A1 (0.34) SLC9A1ACHE
SCHEMBL7916778 0.83 SLC9A1 (0.33) SLC9A1ACHE
SCHEMBL927447 0.83 SLC9A1 (0.39) SLC9A1ACHE
SCHEMBL7911358 0.82 SLC9A1 (0.38) SLC9A1ACHE
SCHEMBL7912931 0.75 SLC9A1 (0.59) SLC9A1ACHE
SCHEMBL7916794 0.74 SLC9A1 (0.61) SLC9A1ACHE
SCHEMBL927184 0.74 SLC9A1 (0.61) SLC9A1ACHE
SCHEMBL7916773 0.74 SLC9A1 (0.37) SLC9A1ACHE
SCHEMBL926206 0.73 SLC9A1 (0.33) SLC9A1
SCHEMBL7910322 0.72 SLC9A1 (0.43) SLC9A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875625-B2 3-guanidinocarbonyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ylmethyl hydrogen sulfate, inhibitory effect on an Na+/H+ exchanger; TOA EIYO LTD. (JP) 2011-01-25 US disclosed
US-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same TOA EIYO LTD. (JP) 2009-01-08 US disclosed
EP-1849774-A1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD. (JP) 2007-10-31 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-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same SLC10A6, SLC26A3, SLC9A3 SLC9A1 5/4885ACHE 3979/4885

“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.