SCHEMBL6719752

SCHEMBL6719752

N[C@@H](C(=O)Nc1ccc2c(c1)CCC2)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.61
RAB9A P51151 13/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 2/20 0.59
HTT P42858 2/20 0.59
GAA P10253 1/20 0.59
ROCK2 O75116 3/20 0.53
ROCK1 Q13464 2/20 0.53
ATM Q13315 1/20 0.52
BAZ1A Q9NRL2 1/20 0.52
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AAK1 Q2M2I8 1/20 0.49
CASP3 P42574 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
SCHEMBL6719749 1.00 NPC1 (0.61) NPC1RAB9AMEN1KMT2ANFKB1
SCHEMBL13114770 0.83 NPC1 (0.61) NPC1RAB9AMEN1KMT2ANFKB1
SCHEMBL8338028 0.82 NPC1 (0.47) NPC1RAB9AMEN1KMT2ANFKB1
SCHEMBL6718053 0.81 NPC1 (0.58) NPC1RAB9AMEN1KMT2ANFKB1
SCHEMBL19074543 0.77 POLB (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4982071 0.77 POLB (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6716026 0.77 ROCK2 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4115937 0.76 NPC1 (1.00) NPC1RAB9AMEN1KMT2ANFKB1
SCHEMBL14511446 0.76 KMT2A (0.69) NPC1RAB9AMEN1KMT2ANFKB1
SCHEMBL31054230 0.76 NPC1 (1.00) NPC1RAB9AMEN1KMT2ANFKB1

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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 NPC1 119/4885RAB9A 1608/4885MEN1 2822/4885

“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.