SCHEMBL12044263

SCHEMBL12044263

CCN(CC)C(=O)Oc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ HTT P42858 1/20 0.56
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ THRB P10828 1/20 0.49

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
SCHEMBL12044291 0.78 NPC1 (0.57) MEN1KMT2ASMN1; SMN2HSD17B10HTT
SCHEMBL12059477 0.77 KMT2A (0.45) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL8945322 0.76 KMT2A (0.85) MEN1KMT2ASMN1; SMN2HSD17B10RAB9A
SCHEMBL9302685 0.76 MEN1 (1.00) MEN1KMT2ASMN1; SMN2HSD17B10RAB9A
SCHEMBL12059797 0.76 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL13719742 0.75 NPC1 (0.74) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL13719791 0.74 NPC1 (0.70) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL1495914 0.74 MEN1 (0.79) MEN1KMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL12043935 0.73 GRIN2D (0.79) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL23801336 0.72 KMT2A (0.76) MEN1KMT2ASMN1; SMN2HSD17B10NPC1

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-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2011-12-29 — — US disclosed
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 MEN1 4356/4885KMT2A 1870/4885SMN1; SMN2 368/4885

“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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