SCHEMBL13873520

SCHEMBL13873520

O=C(NCCc1ccccc1)N1CCC(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ GAA P10253 1/20 0.52
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FKBP1A P62942 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL13873734 0.93 HTR2A (0.49) HTR2AKCNH2HTR2CGAAMMP1
SCHEMBL13873506 0.93 HTR2A (0.62) HTR2AKCNH2HTR2CGAAALDH1A1
SCHEMBL13873530 0.92 HTR2A (0.48) HTR2AKCNH2HTR2CGAAMMP1
SCHEMBL13873723 0.90 MMP1 (0.59) MMP1MMP3MMP7MMP9ALDH1A1
SCHEMBL13873527 0.90 ALDH1A1 (0.53) HTR2AKCNH2HTR2CGAAALDH1A1
SCHEMBL13873717 0.86 HTR2A (0.54) HTR2AKCNH2HTR2CGAAALDH1A1
SCHEMBL13873528 0.85 CA1 (0.49) HTR2AKCNH2HTR2CGAAMMP1
SCHEMBL13873511 0.85 HTR2A (0.53) HTR2AKCNH2HTR2CGAAALDH1A1
SCHEMBL13873518 0.85 ALDH1A1 (0.56) GAAALDH1A1CYP2C19MEN1KMT2A
SCHEMBL13873525 0.85 ALDH1A1 (0.49) HTR2AKCNH2HTR2CGAAALDH1A1

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 HTR2A 4228/4885KCNH2 3327/4885HTR2C 4387/4885

“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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