SCHEMBL6716835

SCHEMBL6716835

Cc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 4/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
PGR P06401 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
PDK1 Q15118 1/20 0.43

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
SCHEMBL6716842 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6719501 0.91 MAPT (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6717632 0.88 ATM (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6715762 0.87 BRD4 (0.54) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL6723447 0.87 KMT2A (0.50) HTTPOLBALDH1A1LMNAGAA
SCHEMBL6716822 0.85 KCNQ2 (0.56) CYP1A2NPC1RAB9APOLBALDH1A1
SCHEMBL6716791 0.85 ALDH1A1 (0.49) HTTNPC1RAB9APOLBALDH1A1
SCHEMBL6715732 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6715913 0.84 MDM4 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6723623 0.84 POLB (0.51) POLBALDH1A1LMNAGAAMAPT

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.