SCHEMBL12044316

SCHEMBL12044316

CCN(CC)C(=O)Oc1ccccc1C(=O)Nc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.57
▸ GRIN2C Q14957 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ LMNA P02545 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 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
SCHEMBL22461756 0.83 KMT2A (0.74) HSD17B10RAB9ALMNASMN1; SMN2MAPT
SCHEMBL12043935 0.82 GRIN2D (0.79) GRIN2DGRIN2CNPC1RAB9ALMNA
SCHEMBL8966578 0.81 LMNA (0.69) HSD17B10NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12044311 0.80 GRIN2D (0.63) GRIN2DGRIN2CHSD17B10NPC1RAB9A
SCHEMBL24239276 0.79 KMT2A (0.60) HSD17B10NPC1RAB9ALMNASMN1; SMN2
Naptalam SCHEMBL22471848 0.77 KMT2A (0.47) GRIN2DGRIN2CHSD17B10NPC1RAB9A
SCHEMBL21275460 0.75 RAB9A (0.76) HSD17B10NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18050799 0.74 HSD17B10 (0.59) HSD17B10NPC1RAB9ALMNASMN1; SMN2
SCHEMBL16236445 0.73 LMNA (0.74) HSD17B10NPC1RAB9ALMNASMN1; SMN2
SCHEMBL16965616 0.73 HSD17B10 (0.70) HSD17B10NPC1RAB9ALMNASMN1; SMN2

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 5/4885HSD17B10 3114/4885

“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.

Send feedback