SCHEMBL14026537

SCHEMBL14026537

COc1cccc(NC(=O)N[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ FCER2 P06734 3/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ THRB P10828 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CTNNB1 P35222 4/20 0.45
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL14026533 0.87 FCER2 (0.48) MEN1KMT2AFCER2MMP9TRPV1
SCHEMBL29687069 0.80 FPR2 (0.62) MEN1KMT2ATHRBRAB9ANPC1
SCHEMBL14026535 0.77 TACR1 (0.54) FCER2MMP9
SCHEMBL7655882 0.72 CTSS (0.69) FCER2MMP9
SCHEMBL8740509 0.72 CTSS (0.69) FCER2MMP9
SCHEMBL9331930 0.72 CTSS (0.69) FCER2MMP9
SCHEMBL14026106 0.72 L3MBTL1 (0.46) MEN1KMT2AFCER2
SCHEMBL14026113 0.71 HPGDS (0.45) FCER2
SCHEMBL761191 0.71 FCER2 (0.55) FCER2MMP9
SCHEMBL30995920 0.71 FCER2 (0.63) FCER2MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446115-B2 To treat pain, drug addiction, or tinnitus; selectively inhibit sodium or calcium ion channels and agonize or antagonize mu -opioid receptors; N-Benzyl-N-(2-dimethylamino-ethyl)-2-(S)-[3-(4-fluorophenyl)-ureido]-3-methyl-butyramide SEPRACOR, INC. (US) 2008-11-04 — — US disclosed
US-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels PERSONS PAUL E 2007-04-26 — — US 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-20070093522-A1 Peptidomimetic ligands for cellular receptors and ion channels OPRL1, TRPV1, ORAI1 MEN1 4198/4885KMT2A 2244/4885FCER2 1365/4885

“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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