SCHEMBL13873869

SCHEMBL13873869

O=C(NCc1cccc2ccccc12)N1CCC(Cc2cccnc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ GRIN2B Q13224 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ FAAH O00519 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ VNN1 O95497 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44

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
SCHEMBL13873782 0.94 MEN1 (0.51) MEN1KMT2AGRIN2BMAPK1MGLL
SCHEMBL13874870 0.82 KMT2A (0.53) MEN1KMT2AGRIN2BALDH1A1EPHX2
SCHEMBL13873678 0.81 EPHX2 (0.64) MEN1KMT2AGRIN2BFAAHEPHX2
SCHEMBL13873686 0.80 MEN1 (0.65) MEN1KMT2AGRIN2BFAAHALDH1A1
SCHEMBL13873820 0.80 CYP2C9 (0.53) ALDH1A1EPHX2CYP2C9
SCHEMBL6698763 0.80 MEN1 (0.61) MEN1KMT2AMGLLFAAHPOLB
SCHEMBL13873868 0.79 EPHX2 (0.68) MEN1KMT2AFAAHEPHX2CYP2C9
SCHEMBL13873680 0.79 MEN1 (0.59) MEN1KMT2AGRIN2BFAAHALDH1A1
SCHEMBL13873871 0.78 EPHX2 (0.56) MEN1KMT2AFAAHEPHX2CYP2C9
SCHEMBL13873857 0.77 FAAH (0.57) MEN1KMT2AFAAHEPHX2CYP2C9

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 3145/4885GRIN2B 3659/4885

“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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