SCHEMBL12059322

SCHEMBL12059322

CCN(C)C(=O)Oc1ccc(C(=O)Nc2cccc3cc[nH]c23)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.63
▸ GRIN2D O15399 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ F10 P00742 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOA P21397 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
SCHEMBL12044296 0.90 GRIN2D (0.55) BCHEGRIN2DGRIN2CKMT2AMEN1
SCHEMBL12043913 0.84 GRIN2D (0.70) BCHEGRIN2DGRIN2CKMT2AMEN1
SCHEMBL12044324 0.80 RAB9A (0.48) BCHEGRIN2DGRIN2CKMT2ANPC1
SCHEMBL12059796 0.75 KEAP1 (0.51) KMT2AMEN1NPC1RAB9A
SCHEMBL12044319 0.73 DHPS (0.60) GRIN2DGRIN2CKMT2AMEN1NPC1
SCHEMBL12043935 0.72 GRIN2D (0.79) GRIN2DGRIN2CKMT2AMEN1POLB
SCHEMBL12043937 0.70 KMT2A (0.70) GRIN2DGRIN2CKMT2AMEN1POLB
SCHEMBL4467330 0.69 DHODH (0.58) KMT2AMEN1NPC1RAB9A
SCHEMBL25581593 0.68 NR3C1 (0.54) BCHEKMT2AMEN1
SCHEMBL11308435 0.68 MAPT (0.49) GRIN2DGRIN2CKMT2AMEN1POLB

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-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2011-12-29 — — US disclosed
WO-2010088408-A2 SUBUNIT SELECTIVE NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 — — 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-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B BCHE 190/4885GRIN2D 8/4885GRIN2C 5/4885

“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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