SCHEMBL14804138

SCHEMBL14804138

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(OCc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.49
▸ ALKBH1 Q13686 4/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ GPR119 Q8TDV5 2/20 0.46
▸ MAOB P27338 1/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL18621043 0.82 MEN1 (0.47) P4HTML3MBTL1MAOBALOX5NR4A1
SCHEMBL19293611 0.78 MEN1 (0.43) L3MBTL1MAOBALOX5NR4A1NR4A2
SCHEMBL14804139 0.78 USP30 (0.39) L3MBTL1GPR119KDM4EHDAC3HDAC1
SCHEMBL6059910 0.77 SSTR4 (0.34) L3MBTL1GPR119HDAC3HDAC1HDAC2
SCHEMBL14804144 0.77 HDAC3 (0.42) GPR119MAOBMEN1KMT2AMAPT
SCHEMBL3598253 0.77 MAOB (0.44) P4HTMALKBH1MAOBNR4A1NR4A2
SCHEMBL5834893 0.76 GPR119 (0.38) L3MBTL1GPR119KMT2AHDAC3HDAC1
SCHEMBL6059163 0.76 SSTR4 (0.34) L3MBTL1GPR119HDAC3HDAC1HDAC2
SCHEMBL13195019 0.75 TLR7 (0.46) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL3590513 0.75 MAOB (0.44) MAOBNR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760843-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-03-02 — — EP disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A P4HTM 2100/4885ALKBH1 4875/4885L3MBTL1 4398/4885

“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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