SCHEMBL3010470

SCHEMBL3010470

CC(C)(C)[Si](OC[C@@H]1CN(CC23CC4CC(CC(C4)C2)C3)C(=O)N1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.39
HTT P42858 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CCKBR P32239 3/20 0.32
BACE1 P56817 1/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3010475 1.00 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2ADRA2A
SCHEMBL13207424 0.88 ADRA2A (0.32) SMYD2ADRA2ACYP11B1CYP11B2CCKBR
SCHEMBL20678196 0.72 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL26618838 0.70 SMYD2 (0.38) SMYD2HTTCYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL26618950 0.70 SMYD2 (0.38) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL1149963 0.69 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL6237907 0.69 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL1293220 0.69 SMYD2 (0.39) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL15209214 0.69 SMYD2 (0.43) SMYD2HTTCYP3A4SMN1; SMN2
SCHEMBL16043809 0.69 SMYD2 (0.43) SMYD2HTTCYP3A4SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US disclosed
EP-2125750-B1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-05-21 EP disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US disclosed
EP-2125750-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 WO 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-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 SMYD2 2244/4885HTT 2755/4885CYP3A4 211/4885

“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.