SCHEMBL12044235

SCHEMBL12044235

CCN(CC)C(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.65
▸ GRIN2C Q14957 1/20 0.65
▸ RAB9A P51151 6/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ EGFR P00533 1/20 0.58
▸ ERBB2 P04626 1/20 0.58
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ POLB P06746 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NOX1 Q9Y5S8 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 0.81 GRIN2D (0.79) GRIN2DGRIN2CRAB9ANPC1CYP1A2
SCHEMBL12060028 0.79 GRIN2D (0.69) GRIN2DGRIN2CRAB9ANPC1CYP1A2
SCHEMBL12043912 0.79 GRIN2D (1.00) GRIN2DGRIN2CRAB9ANPC1CYP1A2
SCHEMBL26885585 0.78 RAB9A (0.77) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL30735621 0.77 RAB9A (0.76) GRIN2DGRIN2CRAB9ANPC1CYP1A2
SCHEMBL3679744 0.77 RAB9A (0.76) GRIN2DGRIN2CRAB9ANPC1CYP1A2
SCHEMBL26885232 0.76 NPC1 (0.81) GRIN2DGRIN2CRAB9ANPC1CYP1A2
SCHEMBL4642544 0.76 NPC1 (1.00) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8342447 0.76 ABCC1 (0.53) GRIN2DGRIN2CRAB9ANPC1KMT2A
SCHEMBL30184438 0.76 NPC1 (1.00) RAB9ANPC1CYP1A2CYP3A4CYP2D6

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 GRIN2D 8/4885GRIN2C 5/4885RAB9A 742/4885

“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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