SCHEMBL13873778

SCHEMBL13873778

O=C(NCc1ccccn1)N1CCC(Cc2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SPR P35270 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ VNN1 O95497 4/20 0.49
▸ GRIN2B Q13224 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TACR3 P29371 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HTT P42858 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
SCHEMBL13873605 0.90 SPR (0.48) MEN1KMT2ASPREPHX2VNN1
SCHEMBL13873681 0.84 MEN1 (0.51) MEN1KMT2AEPHX2GRIN2BKDM4E
SCHEMBL13873600 0.82 SPR (0.52) MEN1KMT2ASPREPHX2VNN1
SCHEMBL13873601 0.82 SPR (0.54) MEN1KMT2ASPREPHX2VNN1
SCHEMBL13873816 0.81 PRMT5 (0.50) MEN1KMT2ASPREPHX2SMN1; SMN2
SCHEMBL13873782 0.81 MEN1 (0.51) MEN1KMT2ASPREPHX2VNN1
SCHEMBL13873609 0.81 MEN1 (0.56) MEN1KMT2ASPRVNN1GRIN2B
SCHEMBL13873777 0.80 NAMPT (0.48) MEN1KMT2ASPRVNN1GRIN2B
SCHEMBL13873555 0.80 EPHX2 (0.55) MEN1KMT2AEPHX2GRIN2BKDM4E
SCHEMBL13873606 0.79 SPR (0.52) MEN1KMT2ASPREPHX2VNN1

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 MEN1 4174/4885KMT2A 3145/4885SPR 61/4885

“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.

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