SCHEMBL13873159

SCHEMBL13873159

CC(C)(C)NC(=O)N1CCCC(Oc2ncccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
EPHX2 P34913 3/20 0.42
CYP2C9 P11712 2/20 0.40
CYP2J2 P51589 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RBP4 P02753 2/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
CYP4A11 Q02928 2/20 0.39
CYP4F2 P78329 1/20 0.39
NAMPT P43490 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
LOX P28300 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HMOX1 P09601 1/20 0.37

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
SCHEMBL13873151 0.93 EPHX2 (0.48) GAAEPHX2CYP2C9CYP2J2SMN1; SMN2
SCHEMBL13873112 0.85 EPHX2 (0.56) GAAEPHX2CYP2C9CYP2J2SMN1; SMN2
SCHEMBL13890295 0.84 PDE4B (0.45) EPHX2CYP2C9CYP2J2CYP2C19CYP4A11
SCHEMBL4106966 0.80 EPHX2 (0.44) EPHX2CYP2C9CYP2J2CYP2C19CYP4A11
SCHEMBL14413520 0.79 EPHX2 (0.41) EPHX2CYP2C9CYP2J2CYP2C19CYP4A11
SCHEMBL13873201 0.74 EPHX2 (0.50) EPHX2CYP2C9CYP2J2NAMPT
SCHEMBL7900769 0.73 PIK3CD (0.56)
SCHEMBL13873174 0.73 RBP4 (0.41) GAASMN1; SMN2RBP4LMNAKDM4E
SCHEMBL4102372 0.73 PIK3CD (0.56)
SCHEMBL6123596 0.73 EPHX2 (0.48) EPHX2CYP2C9CYP2J2CYP2C19CYP4A11

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 GAA 735/4885EPHX2 2/4885CYP2C9 477/4885

“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.