SCHEMBL6715732

SCHEMBL6715732

Cc1ccccc1NC(=O)C(C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
PGR P06401 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46

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
SCHEMBL6717200 0.86 ITGB3 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6719497 0.86 ITGB3 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6723384 0.86 ITGB3 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6716053 0.84 RAB9A (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6716835 0.84 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6716842 0.84 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6716688 0.83 ANPEP (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6715424 0.82 PDK1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6717162 0.80 POLB (0.54) PGRSCN1ASCN2ASCN3ANPC1
SCHEMBL6718764 0.77 KMT2A (0.56) NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 CYP1A2 405/4885CYP3A4 591/4885CYP2D6 254/4885

“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.