SCHEMBL23310902

SCHEMBL23310902

COc1ccc(CN2CC[C@@H](NC(O)OC(C)(C)C)C2=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL16874630 0.81 SIGMAR1 (0.49) KMT2AMEN1KDM4EMAPK1TP53
SCHEMBL16892067 0.80 HCRTR1 (0.44) KMT2AMEN1KDM4EMAPK1TP53
SCHEMBL16874556 0.73 SIGMAR1 (0.54) KMT2AMEN1KDM4EMAPK1SIGMAR1
SCHEMBL16874555 0.73 SIGMAR1 (0.54) KMT2AMEN1KDM4EMAPK1SIGMAR1
SCHEMBL16874569 0.71 LMNA (0.46) KMT2AMEN1KDM4ESIGMAR1HCRTR1
SCHEMBL16874568 0.71 LMNA (0.46) KMT2AMEN1KDM4ESIGMAR1HCRTR1
SCHEMBL7947324 0.69 MEN1 (0.48) KMT2AMEN1KDM4EMAPK1SIGMAR1
SCHEMBL29593920 0.67 ALDH1A1 (0.51) KMT2AMEN1KDM4ESIGMAR1HCRTR1
SCHEMBL22911243 0.67 ALDH1A1 (0.51) KMT2AMEN1KDM4ESIGMAR1HCRTR1
SCHEMBL16874586 0.66 KCNH2 (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 — — 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-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A KMT2A 2824/4885MEN1 4538/4885KDM4E 4042/4885

“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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