SCHEMBL927100

SCHEMBL927100

COC(=O)c1cc2c(nc1C)C(COC(=O)NCCOCCOCCOCCOCCOCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCCC2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL929703 0.79 OPRK1 (0.38) OPRK1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL5554772 0.73 KDM4C (0.33) SMN1; SMN2LMNAALDH1A1CNR1CNR2
SCHEMBL927361 0.71 ACHE (0.41) OPRK1ALDH1A1KDM4EHPGDPDK2
SCHEMBL927478 0.71 CNR1 (0.30) CNR1CNR2
SCHEMBL926811 0.71 CNR1 (0.30) CNR1CNR2
SCHEMBL927101 0.71 OPRK1 (0.30) OPRK1
SCHEMBL927407 0.71
SCHEMBL926848 0.71
SCHEMBL927480 0.71
SCHEMBL926334 0.70

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 2 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

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 296/4885SMN1; SMN2 1788/4885LMNA 4755/4885

“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.