SCHEMBL12060028

SCHEMBL12060028

CCN(CC)C(=O)COc1ccc(C(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.69
▸ GRIN2C Q14957 1/20 0.69
▸ NPC1 O15118 5/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ TSHR P16473 1/20 0.57
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL12043935 0.84 GRIN2D (0.79) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL12043912 0.82 GRIN2D (1.00) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL12044235 0.79 GRIN2D (0.65) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL29124110 0.78 NPC1 (1.00) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL12043947 0.76 GRIN2D (0.67) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL12044225 0.75 KMT2A (0.67) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL12044311 0.75 GRIN2D (0.63) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL12043937 0.75 KMT2A (0.70) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL9133075 0.74 GPR35 (0.46) GRIN2DGRIN2CNPC1RAB9AKMT2A
SCHEMBL3679744 0.73 RAB9A (0.76) GRIN2DGRIN2CNPC1RAB9AKMT2A

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 GRIN2D 8/4885GRIN2C 5/4885NPC1 875/4885

“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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