SCHEMBL4156411

SCHEMBL4156411

O=C(O)COC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.58
▸ PTGIR P43119 5/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ EPHX1 P07099 1/20 0.54
▸ L3MBTL3 Q96JM7 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HPGD P15428 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL13803669 0.88 ACHE (0.59) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL28861303 0.85 ACHE (0.62) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL7480840 0.83 ACHE (0.52) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL4677007 0.80 ACHE (0.59) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL4678438 0.80 ACHE (0.63) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL27748883 0.80 ACHE (0.68) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL2781381 0.78 MEN1 (0.68) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL14597201 0.78 ACHE (0.61) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL4283757 0.78 ACHE (0.56) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL77520 0.77 SMN1; SMN2 (0.67) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 — — US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 — — US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 — — WO disclosed
EP-1227090-A1 AMINE DERIVATIVES Tadeka Chemical Industries, Ltd. (JP) 2002-07-31 — — EP 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT ACHE 1062/4885PTGIR 249/4885NAMPT 1340/4885

“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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