SCHEMBL13873926

SCHEMBL13873926

O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(Cc2ccccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HRH3 Q9Y5N1 3/20 0.59
▸ GRIN2B Q13224 1/20 0.57
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL13873561 0.90 EPHX2 (0.58) EPHX2MEN1KMT2AHRH3GRIN2B
SCHEMBL12466436 0.86 EPHX2 (0.63) EPHX2MEN1KMT2AHRH3GRIN2B
SCHEMBL13873686 0.83 MEN1 (0.65) MEN1KMT2AHRH3GRIN2BNPSR1
SCHEMBL13873751 0.81 EPHX2 (0.57) EPHX2MEN1KMT2AGRIN2BMAPK14
SCHEMBL13873753 0.80 ALDH1A1 (0.53) EPHX2MEN1KMT2AGRIN2BSMN1; SMN2
SCHEMBL13873554 0.80 EPHX2 (0.59) EPHX2MEN1KMT2AGRIN2BKDM4E
SCHEMBL13873755 0.79 EPHX2 (0.57) EPHX2MEN1KMT2AGRIN2BNPSR1
SCHEMBL13873758 0.78 EPHX2 (0.56) EPHX2MEN1KMT2AGRIN2BMAPT
SCHEMBL13873609 0.77 MEN1 (0.56) MEN1KMT2AHRH3GRIN2BNPSR1
SCHEMBL13873620 0.77 EPHX2 (0.61) EPHX2MEN1KMT2AHRH3GRIN2B

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.

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