SCHEMBL927307

SCHEMBL927307

CC(C)(C)[Si](OCCOCCOCCOCCOCCOCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
SMYD2 Q9NRG4 3/20 0.37
CYP3A4 P08684 2/20 0.37
HTT P42858 1/20 0.37
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
TRPM2 O94759 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 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
SCHEMBL30426193 1.00 SMN1; SMN2 (0.40) SMN1; SMN2SMYD2CYP3A4HTTKIF11
SCHEMBL15679439 1.00 SMN1; SMN2 (0.40) SMN1; SMN2SMYD2CYP3A4HTTKIF11
SCHEMBL29026181 1.00 SMN1; SMN2 (0.40) SMN1; SMN2SMYD2CYP3A4HTTKIF11
SCHEMBL453430 0.90 SMN1; SMN2 (0.44) SMN1; SMN2SMYD2CYP3A4HTTKIF11
SCHEMBL29368838 0.85 SMYD2 (0.37) SMN1; SMN2SMYD2CYP3A4HTTKDM4E
SCHEMBL18069583 0.85 SMYD2 (0.37) SMN1; SMN2SMYD2CYP3A4HTTKDM4E
SCHEMBL5727505 0.85 SMN1; SMN2 (0.41) SMN1; SMN2SMYD2CYP3A4HTTKIF11
SCHEMBL14059104 0.84 SMN1; SMN2 (0.37) SMN1; SMN2SMYD2CYP3A4HTTRAB9A
SCHEMBL3412361 0.84 SMYD2 (0.37) SMN1; SMN2SMYD2CYP3A4HTT
SCHEMBL3415813 0.84 SMYD2 (0.37) SMN1; SMN2SMYD2CYP3A4HTT

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 SMN1; SMN2 1788/4885SMYD2 1414/4885CYP3A4 706/4885

“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.