SCHEMBL13873153

SCHEMBL13873153

CC(C)(C)NC(=O)N1CCC(Oc2ncc(F)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
EPHX2 P34913 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2J2 P51589 2/20 0.43
GAA P10253 1/20 0.40
JAK3 P52333 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RBP4 P02753 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACACB O00763 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
HMOX1 P09601 1/20 0.38
BRD4 O60885 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL13873174 0.87 RBP4 (0.41) SMN1; SMN2LMNAGAAKDM4EPOLB
SCHEMBL13873112 0.86 EPHX2 (0.56) SMN1; SMN2LMNAEPHX2CYP2C9CYP2J2
SCHEMBL13873137 0.84 NAMPT (0.49) SMN1; SMN2EPHX2CYP2C9GPR119LIPE
SCHEMBL13873126 0.80 EPHX2 (0.54) SMN1; SMN2LMNAEPHX2CYP2C9GAA
SCHEMBL13873151 0.79 EPHX2 (0.48) SMN1; SMN2LMNAEPHX2CYP2C9CYP2J2
SCHEMBL23842628 0.77 PIK3CD (0.53) GPR119
SCHEMBL13873116 0.77 EPHX2 (0.58) SMN1; SMN2LMNAEPHX2CYP2C9JAK3
SCHEMBL13873248 0.74 EPHX2 (0.58) SMN1; SMN2LMNAEPHX2CYP2C9CYP2J2
SCHEMBL13873148 0.74 EPHX2 (0.61) SMN1; SMN2LMNAEPHX2CYP2C9CYP2J2
SCHEMBL13873164 0.74 EPHX2 (0.46) SMN1; SMN2EPHX2RBP4

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 SMN1; SMN2 4277/4885LMNA 3647/4885EPHX2 2/4885

“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.