SCHEMBL13873643

SCHEMBL13873643

O=C(NCCc1ccccn1)N1CCC(c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 2/20 0.49
HSD11B1 P28845 3/20 0.47
SPR P35270 1/20 0.46
CYP2C9 P11712 2/20 0.45
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP2J2 P51589 1/20 0.43
CASP3 P42574 1/20 0.42
NAMPT P43490 2/20 0.42
TSHR P16473 1/20 0.42
GPR39 O43194 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
SCHEMBL13873816 0.90 PRMT5 (0.50) PRMT5WDR77HSD11B1SPRCYP2C9
SCHEMBL13873673 0.89 CYP2C9 (0.54) PRMT5WDR77HSD11B1CYP2C9EPHX2
SCHEMBL13873664 0.86 CYP2C9 (0.61) PRMT5WDR77HSD11B1CYP2C9EPHX2
SCHEMBL13873641 0.85 EPHX2 (0.51) PRMT5WDR77HSD11B1SPRCYP2C9
SCHEMBL13873646 0.84 HSD11B1 (0.49) PRMT5WDR77HSD11B1SPRCYP2C9
SCHEMBL13873819 0.83 PRMT5 (0.48) PRMT5WDR77HSD11B1SPRCYP2C9
SCHEMBL13873605 0.82 SPR (0.48) SPRCYP2C9EPHX2ALDH1A1RAB9A
SCHEMBL13873681 0.80 MEN1 (0.51) EPHX2ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13873813 0.79 KMT2A (0.54) PRMT5WDR77HSD11B1ALDH1A1RAB9A
SCHEMBL13873672 0.78 EPHX2 (0.52) PRMT5WDR77HSD11B1CYP2C9EPHX2

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 PRMT5 2065/4885WDR77 2019/4885HSD11B1 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.