SCHEMBL3243717

SCHEMBL3243717

COc1ccc(Br)c(C(=O)NC(c2ccccc2)C2(N(C)C)CCCC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL3240768 0.83 SLC6A9 (0.58) SLC6A9ALDH1A1GAAKMT2AHPGD
SCHEMBL3243558 0.81 ROCK2 (0.44) SLC6A9ALDH1A1GAATP53KMT2A
SCHEMBL3239737 0.80 POLB (0.47) ALDH1A1GAAPKMKMT2AHTT
SCHEMBL3233042 0.79 SLC6A9 (0.52) SLC6A9ALDH1A1HPGDSLC6A5
SCHEMBL3234800 0.79 SLC6A9 (0.51) SLC6A9SLC6A5
SCHEMBL3237933 0.79 TAS1R3 (0.46) SLC6A9ALDH1A1KMT2ALMNA
SCHEMBL3238270 0.79 ALDH1A1 (0.57) SLC6A9ALDH1A1TP53KMT2AHPGD
SCHEMBL3237351 0.78 SLC6A9 (0.51) SLC6A9ALDH1A1HPGDSLC6A5
SCHEMBL5414112 0.78 SLC6A9 (0.42) SLC6A9TP53KMT2ACYP2C19SLC6A5
SCHEMBL8264425 0.78 SLC6A9 (0.50) SLC6A9ALDH1A1GAAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885ALDH1A1 1356/4885GAA 127/4885

“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.