SCHEMBL13873755

SCHEMBL13873755

O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(Cc2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.57
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GRIN2B Q13224 1/20 0.49
▸ KIT P10721 1/20 0.46
▸ S1PR3 Q99500 1/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 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
SCHEMBL13873859 0.85 MEN1 (0.54) MEN1KMT2AGRIN2BKITNAMPT
SCHEMBL13874900 0.82 EPHX2 (0.52) EPHX2GRIN2BKITS1PR3SCN5A
SCHEMBL12466436 0.82 EPHX2 (0.63) EPHX2MEN1KMT2AGRIN2BKIT
SCHEMBL13873763 0.80 EPHX2 (0.61) EPHX2GRIN2BKITS1PR3SCN5A
SCHEMBL13873777 0.79 NAMPT (0.48) MEN1KMT2AGRIN2BKITNAMPT
SCHEMBL13873926 0.79 EPHX2 (0.60) EPHX2MEN1KMT2AGRIN2BHDAC3
SCHEMBL13873751 0.79 EPHX2 (0.57) EPHX2MEN1KMT2AGRIN2BKIT
SCHEMBL13873705 0.78 NAMPT (0.52) EPHX2KITSCN5ASCN9ANAMPT
SCHEMBL13873552 0.77 EPHX2 (0.70) EPHX2MEN1KMT2AGRIN2BCYP2C9
SCHEMBL13873789 0.76 EPHX2 (0.59) EPHX2KITS1PR3NAMPTCHRNA7

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.

Send feedback