SCHEMBL3539009

SCHEMBL3539009

CO[C@H]1CC[C@@H](NC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
CD38 P28907 6/20 0.39
BRD4 O60885 2/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
EPHX1 P07099 2/20 0.35

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
SCHEMBL3229882 1.00 EPHX2 (0.51) EPHX2CD38BRD4POLBCYP2D6
SCHEMBL3229891 1.00 EPHX2 (0.51) EPHX2CD38BRD4POLBCYP2D6
SCHEMBL20488506 0.88 EPHX2 (0.45) EPHX2CD38BRD4POLBNPSR1
SCHEMBL20488504 0.88 EPHX2 (0.45) EPHX2CD38BRD4POLBNPSR1
SCHEMBL12409147 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19
SCHEMBL12409405 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19
SCHEMBL10082245 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19
SCHEMBL4715595 0.82 PDE7A (0.43) EPHX2POLB
Hydrochloric Acid SCHEMBL3546089 0.81 EPHX2 (0.50) EPHX2CD38BRD4CYP2D6CYP2B6
Hydrochloric Acid SCHEMBL2070160 0.81 EPHX2 (0.50) EPHX2CD38BRD4CYP2D6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803967-B2 4-alkoxy-cyclohexane-1-amino-carboxylic esters and processes for their preparation BAYER CROPSCIENCE AG (DE) 2010-09-28 US disclosed
US-20090156402-A1 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION BAYER CROPSCIENCE AG (DE) 2009-06-18 US disclosed
US-7511153-B2 4-alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER CROPSCIENCE AG (DE) 2009-03-31 US disclosed
US-20070043219-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-22 US disclosed
US-7148377-B2 4-Alkoxy cyclohexane-1-amino-carboxylic acid esters and method for the production thereof BAYER CROPSCIENCE AG (DE) 2006-12-12 US disclosed
US-20040039223-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-26 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 (3 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-20070043219-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof ALDH7A1, DDC, ABAT EPHX2 268/4885CD38 1909/4885BRD4 3956/4885
US-20090156402-A1 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION DDT, CYP4B1, ALDH7A1 EPHX2 177/4885CD38 1780/4885BRD4 3560/4885
US-20040039223-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof ALDH7A1, CYP51A1, ABAT EPHX2 354/4885CD38 1915/4885BRD4 3778/4885

“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.