SCHEMBL927562

SCHEMBL927562

N=C(N)NC(=O)C(OS(=O)(=O)O)c1ccc2c(n1)CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.35
ADRA2B P18089 4/20 0.35
ADRA2C P18825 4/20 0.35
SLC9A1 P19634 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
SCHEMBL927181 0.67 ADRA2A (0.40) ADRA2AADRA2BADRA2CSLC9A1
SCHEMBL927564 0.65 KDM4E (0.38) ADRA2AADRA2BADRA2CSLC9A1
SCHEMBL2085329 0.62 ADRA2A (0.47) ADRA2AADRA2BADRA2C
SCHEMBL3993813 0.62 ADRA2A (0.50) ADRA2AADRA2BADRA2CSLC9A1
SCHEMBL25060963 0.61 ADRA2A (0.42) ADRA2AADRA2BADRA2C
SCHEMBL18248744 0.61 ADRA2A (0.54) ADRA2AADRA2BADRA2CSLC9A1
SCHEMBL20877646 0.61 ADRA2A (0.42) ADRA2AADRA2BADRA2C
SCHEMBL20877621 0.61 ADRA2A (0.42) ADRA2AADRA2BADRA2C
SCHEMBL29649376 0.61 ADRA2A (0.54) ADRA2AADRA2BADRA2CSLC9A1
SCHEMBL19817529 0.61 ADRA2A (0.42) ADRA2AADRA2BADRA2C

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
EP-1849774-B1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD (JP) 2011-06-29 EP disclosed
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

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 ADRA2A 350/4885ADRA2B 252/4885ADRA2C 701/4885

“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.