SCHEMBL13873641

SCHEMBL13873641

O=C(NCCc1cccnc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
EPHX1 P07099 1/20 0.51
HSD11B1 P28845 2/20 0.50
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 2/20 0.49
SPR P35270 1/20 0.48
CYP2C9 P11712 1/20 0.46
NAMPT P43490 5/20 0.45
C3AR1 Q16581 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
CHRM4 P08173 1/20 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
SCHEMBL13873672 0.92 EPHX2 (0.52) EPHX2EPHX1HSD11B1PRMT5WDR77
SCHEMBL13873646 0.92 HSD11B1 (0.49) EPHX2EPHX1HSD11B1PRMT5WDR77
SCHEMBL13873819 0.89 PRMT5 (0.48) EPHX2EPHX1HSD11B1PRMT5WDR77
SCHEMBL13873813 0.87 KMT2A (0.54) HSD11B1PRMT5WDR77C3AR1NPC1
SCHEMBL13873662 0.86 EPHX2 (0.62) EPHX2EPHX1PRMT5WDR77CYP2C9
SCHEMBL13873643 0.85 PRMT5 (0.49) EPHX2HSD11B1PRMT5WDR77SPR
SCHEMBL13873645 0.85 ALDH1A1 (0.50) EPHX2EPHX1HSD11B1PRMT5WDR77
SCHEMBL13873640 0.84 MAPK1 (0.56) EPHX1NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL13873601 0.83 SPR (0.54) EPHX2EPHX1SPRCYP2C9NAMPT
SCHEMBL13873671 0.82 CYP2C9 (0.57) EPHX2PRMT5WDR77CYP2C9NAMPT

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 3 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
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO 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 2/4885EPHX1 1/4885HSD11B1 309/4885

“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.