SCHEMBL13873113

SCHEMBL13873113

CC(C)(C)NC(=O)N1CCC(Cc2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.47
FAAH O00519 3/20 0.46
LMNA P02545 3/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
GRIN2B Q13224 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL19652191 0.84 EPHX2 (0.52) EPHX2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL19658396 0.83 EPHX2 (0.56) EPHX2SMN1; SMN2KDM4EFAAHALDH1A1
SCHEMBL13873044 0.81 MEN1 (0.67) SMN1; SMN2FAAHLMNAMEN1KMT2A
SCHEMBL1088570 0.81 GPR119 (0.61) EPHX2SMN1; SMN2KDM4EFAAHLMNA
SCHEMBL29566603 0.81 GPR119 (0.61) EPHX2SMN1; SMN2KDM4EFAAHLMNA
SCHEMBL27648403 0.80 KDM4E (0.59) EPHX2SMN1; SMN2KDM4EGAAFAAH
SCHEMBL19658750 0.79 EPHX2 (0.54) EPHX2SMN1; SMN2KDM4EFAAHMEN1
SCHEMBL13873554 0.78 EPHX2 (0.59) EPHX2SMN1; SMN2KDM4EFAAHMEN1
SCHEMBL17886759 0.78 ABL1 (0.60) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL13873252 0.77 FAAH (0.49) SMN1; SMN2FAAHLMNAMEN1KMT2A

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.