SCHEMBL926592

SCHEMBL926592

CN=C(N)NC(=O)c1cnc2c(c1)CCCCC2CO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RORC P51449 1/20 0.32
NNMT P40261 1/20 0.32
MALT1 Q9UDY8 3/20 0.31
CYP11B2 P19099 1/20 0.31
TPH1 P17752 1/20 0.30
SMYD3 Q9H7B4 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
SCHEMBL927202 0.96 NPC1 (0.35) NPC1ALDH1A1MAPTRORCCYP11B2
SCHEMBL7916701 0.86 NPC1 (0.39) NPC1ALDH1A1MAPTNNMTCYP11B2
SCHEMBL7903011 0.86 ALDH1A1 (0.39) NPC1ALDH1A1MAPTNNMTCYP11B2
SCHEMBL927099 0.85 NPC1 (0.32) NPC1ALDH1A1MAPTCYP11B2
SCHEMBL7913178 0.85 NPC1 (0.38) NPC1ALDH1A1MAPTRORCNNMT
SCHEMBL7916792 0.83 VNN1 (0.36) NPC1ALDH1A1MAPT
SCHEMBL7916777 0.83 ALDH1A1 (0.37) NPC1ALDH1A1MAPTNNMTCYP11B2
SCHEMBL7911310 0.82 ALDH1A1 (0.37) NPC1ALDH1A1MAPTNNMTCYP11B2
SCHEMBL7902769 0.82 ALDH1A1 (0.37) NPC1ALDH1A1MAPTNNMTCYP11B2
SCHEMBL928061 0.81 CNR1 (0.34) NPC1ALDH1A1MAPT

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 6 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
EP-1849774-A1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD. (JP) 2007-10-31 EP disclosed
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 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 NPC1 188/4885ALDH1A1 438/4885MAPT 4088/4885

“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.