SCHEMBL929082

SCHEMBL929082

Cc1nc2c(cc1C(=O)NC(=N)N)CCCCC2CS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL927132 0.99 SLC9A1 (0.34) SLC9A1
SCHEMBL927133 0.90 SLC9A1 (0.33) SLC9A1
SCHEMBL927200 0.90 SLC9A1 (0.36) SLC9A1KDM4E
SCHEMBL926591 0.88 SLC9A1 (0.39) SLC9A1KDM4E
SCHEMBL926206 0.87 SLC9A1 (0.33) SLC9A1KDM4E
SCHEMBL926819 0.85 SLC9A1 (0.32) SLC9A1KDM4E
SCHEMBL926208 0.85 SLC9A1 (0.32) SLC9A1KDM4E
SCHEMBL927383 0.82 OPRK1 (0.39) KDM4E
SCHEMBL7903007 0.82 SLC9A1 (0.39) SLC9A1KDM4E
SCHEMBL1998766 0.82 SLC9A1 (0.39) SLC9A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849774-B1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD (JP) 2011-06-29 EP claimed
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 claimed
US-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same TOA EIYO LTD. (JP) 2009-01-08 US claimed
EP-1849774-A1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD. (JP) 2007-10-31 EP claimed
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 5/4885KDM4E 2194/4885

“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.