SCHEMBL13873554

SCHEMBL13873554

O=C(NCCc1ccccc1)N1CCC(Cc2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GRIN2B Q13224 3/20 0.54
CHRM4 P08173 3/20 0.51
FAAH O00519 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL13873758 0.94 EPHX2 (0.56) EPHX2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13873921 0.93 EPHX2 (0.57) EPHX2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13873555 0.91 EPHX2 (0.55) EPHX2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13873753 0.89 ALDH1A1 (0.53) EPHX2MEN1KMT2ASMN1; SMN2GRIN2B
SCHEMBL13873556 0.85 EPHX2 (0.52) EPHX2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13873553 0.84 ALDH1A1 (0.59) EPHX2MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13873681 0.84 MEN1 (0.51) EPHX2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL14413649 0.83 EPHX2 (0.51) EPHX2MEN1KMT2ASMN1; SMN2CHRM4
SCHEMBL13873680 0.82 MEN1 (0.59) EPHX2MEN1KMT2ASMN1; SMN2GRIN2B
SCHEMBL17117342 0.80 MEN1 (0.59) EPHX2MEN1KMT2ASMN1; SMN2GRIN2B

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 2/4885MEN1 4174/4885KMT2A 3145/4885

“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.