SCHEMBL929703

SCHEMBL929703

COC(=O)c1cc2c(nc1C)C(COC(=O)NCCO)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.38
OPRM1 P35372 1/20 0.37
ACHE P22303 4/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5554772 0.91 KDM4C (0.33) KDM4EALDH1A1KMT2AGAAPPARG
SCHEMBL927097 0.86 KDM4E (0.32) KDM4EALDH1A1GAAHPGD
SCHEMBL927361 0.83 ACHE (0.41) OPRK1OPRM1ACHEPDK2PDK4
SCHEMBL927301 0.80 ACHE (0.41) OPRK1OPRM1ACHEPDK2PDK4
SCHEMBL927100 0.79 OPRK1 (0.32) OPRK1PDK2PDK4KDM4EALDH1A1
SCHEMBL928060 0.79 CNR1 (0.38)
SCHEMBL927383 0.77 OPRK1 (0.39) OPRK1OPRM1ACHEPDK2PDK4
SCHEMBL7911315 0.76 KDM4E (0.50) OPRK1ACHEKDM4EALDH1A1KMT2A
SCHEMBL2003927 0.75
SCHEMBL7912964 0.75 ACHE (0.44) OPRK1OPRM1ACHEPDK2PDK4

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 OPRK1 296/4885OPRM1 284/4885ACHE 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.