SCHEMBL13873609

SCHEMBL13873609

O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(Cc2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ FAAH O00519 4/20 0.53
▸ HRH3 Q9Y5N1 3/20 0.53
▸ NAMPT P43490 1/20 0.51
▸ GRIN2B Q13224 2/20 0.49
▸ SPR P35270 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ VNN1 O95497 1/20 0.45

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
SCHEMBL13873686 0.94 MEN1 (0.65) MEN1KMT2AFAAHHRH3NAMPT
SCHEMBL13873636 0.84 MEN1 (0.61) MEN1KMT2AHRH3CHRNA7
SCHEMBL13873648 0.83 HRH3 (0.57) MEN1KMT2AFAAHHRH3NAMPT
SCHEMBL13873600 0.82 SPR (0.52) MEN1KMT2ANAMPTGRIN2BSPR
SCHEMBL13873778 0.81 MEN1 (0.51) MEN1KMT2AGRIN2BSPRKDM4E
SCHEMBL13873782 0.81 MEN1 (0.51) MEN1KMT2AGRIN2BSPRALDH1A1
SCHEMBL13873776 0.80 KMT2A (0.53) MEN1KMT2ASPRALDH1A1CHRNA7
SCHEMBL13873781 0.80 SPR (0.48) MEN1KMT2ANAMPTGRIN2BSPR
SCHEMBL13873601 0.79 SPR (0.54) MEN1KMT2AFAAHNAMPTGRIN2B
SCHEMBL13873777 0.79 NAMPT (0.48) MEN1KMT2ANAMPTGRIN2BSPR

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 3145/4885FAAH 11/4885

“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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