SCHEMBL1094079

SCHEMBL1094079

CC(C)[Si](OC1CCN(N2CCC(Cc3ccc(-c4ccc(C(=O)O)cc4)cc3Cl)C2=O)CC1)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
ADRB3 P13945 4/20 0.32
SRD5A2 P31213 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CMA1 P23946 4/20 0.31
ADRB1 P08588 3/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX5AP P20292 1/20 0.31
LTC4S Q16873 1/20 0.31
SSTR5 P35346 2/20 0.31
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
KCNH2 Q12809 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
SCHEMBL1092227 1.00 ROCK2 (0.35) ROCK2CYP2C9EPHX2CYP2J2ADRB3
SCHEMBL1093032 0.92 ROCK2 (0.35) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL3284565 0.92 ROCK2 (0.35) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL1092153 0.91 SRD5A2 (0.33) ROCK2CYP2C9EPHX2CYP2J2ADRB3
SCHEMBL1092155 0.91 SRD5A2 (0.33) ROCK2CYP2C9EPHX2CYP2J2ADRB3
SCHEMBL1091734 0.88 LRRK2 (0.35) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL1091733 0.88 LRRK2 (0.35) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL1092636 0.85 ROCK2 (0.33) ROCK2
SCHEMBL1092633 0.85 ROCK2 (0.33) ROCK2
SCHEMBL4191597 0.85 ROCK2 (0.34) ROCK2ADRB3ADRB1

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-8153807-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2021336-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-06-30 EP disclosed
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 US disclosed
EP-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 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-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 ROCK2 1458/4885CYP2C9 302/4885EPHX2 873/4885

“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.