SCHEMBL16874569

SCHEMBL16874569

COc1ccc(CN2CCC(N(C(=O)O)C(C)(C)C)C2=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 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
SCHEMBL16874568 1.00 LMNA (0.46) LMNAKDM4EALDH1A1L3MBTL1SIGMAR1
SCHEMBL16874630 0.76 SIGMAR1 (0.49) KDM4EALDH1A1L3MBTL1SIGMAR1KMT2A
SCHEMBL7247690 0.75 L3MBTL1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL16874556 0.74 SIGMAR1 (0.54) LMNAKDM4EALDH1A1SIGMAR1KMT2A
SCHEMBL16874555 0.74 SIGMAR1 (0.54) LMNAKDM4EALDH1A1SIGMAR1KMT2A
SCHEMBL16892067 0.74 HCRTR1 (0.44) KDM4EALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL23310902 0.71 KMT2A (0.43) LMNAKDM4EALDH1A1SIGMAR1KMT2A
SCHEMBL13108667 0.70 HCRTR1 (0.65) ALDH1A1L3MBTL1SIGMAR1KMT2AMEN1
SCHEMBL13397599 0.70 HCRTR1 (0.65) ALDH1A1L3MBTL1SIGMAR1KMT2AMEN1
SCHEMBL13099493 0.70 HCRTR1 (0.65) ALDH1A1L3MBTL1SIGMAR1KMT2AMEN1

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-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 — — US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 — — 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-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A LMNA 3807/4885KDM4E 4042/4885ALDH1A1 2090/4885

“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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