SCHEMBL13873170

SCHEMBL13873170

CC(C)(C)NC(=O)N1CCC(Oc2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RBP4 P02753 1/20 0.45
SCD O00767 1/20 0.43
LMNA P02545 1/20 0.43
GPR6 P46095 2/20 0.43

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
SCHEMBL13873166 0.83 EPHX2 (0.61) EPHX2SMN1; SMN2RBP4LMNA
SCHEMBL3069360 0.82 GPR119 (0.59) EPHX2
SCHEMBL4655923 0.81 EPHX2 (0.56) EPHX2SMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL13873231 0.81 EPHX2 (0.65) EPHX2KDM4ENPSR1RBP4SCD
SCHEMBL13873183 0.80 EPHX2 (0.60) EPHX2SMN1; SMN2ALDH1A1RBP4LMNA
SCHEMBL13873160 0.80 EPHX2 (0.56) EPHX2SMN1; SMN2KDM4ENPSR1RBP4
SCHEMBL13873213 0.79 EPHX2 (0.60) EPHX2SMN1; SMN2LMNA
SCHEMBL13873173 0.79 GPR119 (0.64) EPHX2SMN1; SMN2LMNA
SCHEMBL16792965 0.78 GPR119 (0.52) EPHX2ALDH1A1
SCHEMBL16792922 0.78 GPR119 (0.52) EPHX2ALDH1A1

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 EPHX2 2/4885SMN1; SMN2 4277/4885KDM4E 2114/4885

“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.