SCHEMBL13803669

SCHEMBL13803669

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.59
▸ NAMPT P43490 1/20 0.53
▸ EPHX1 P07099 1/20 0.51
▸ L3MBTL3 Q96JM7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ MGLL Q99685 1/20 0.50
▸ HSD11B1 P28845 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ EPHX2 P34913 1/20 0.48

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
SCHEMBL4156411 0.88 ACHE (0.58) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL28861303 0.85 ACHE (0.62) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL7480840 0.83 ACHE (0.52) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL7809522 0.81 ACHE (0.64) ACHEEPHX1L3MBTL3L3MBTL1KMT2A
SCHEMBL7278900 0.81 ACHE (0.56) ACHENAMPTEPHX1L3MBTL3L3MBTL1
SCHEMBL13677251 0.81 GAA (0.63) KMT2AMEN1MGLLALDH1A1SMN1; SMN2
SCHEMBL27748883 0.80 ACHE (0.68) ACHEEPHX1L3MBTL3L3MBTL1KMT2A
SCHEMBL13677224 0.79 SMN1; SMN2 (0.64) KMT2AMEN1SMN1; SMN2
SCHEMBL11473402 0.78 MEN1 (0.45) ACHENAMPTKMT2AMEN1ALDH1A1
SCHEMBL12154736 0.78 ACHE (0.64) ACHEEPHX1L3MBTL3L3MBTL1KMT2A

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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 — — 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

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 1062/4885NAMPT 1340/4885EPHX1 1954/4885

“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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