SCHEMBL3243558

SCHEMBL3243558

COc1cc(F)cc(F)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
SLC6A9 P48067 7/20 0.43
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A5 Q9Y345 2/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAP2K1 Q02750 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
SCHEMBL5414112 0.88 SLC6A9 (0.42) ROCK2SLC6A9KMT2ATP53SLC6A5
SCHEMBL3238721 0.84 ALDH1A1 (0.46) ROCK2SLC6A9KMT2AALDH1A1HPGD
SCHEMBL3240768 0.84 SLC6A9 (0.58) SLC6A9KMT2AMAPK1ALDH1A1HPGD
SCHEMBL3237783 0.83 SLC6A9 (0.47) SLC6A9SLC6A5
SCHEMBL3237485 0.82 SLC6A9 (0.48) SLC6A9RXFP1MAPK1ALDH1A1LMNA
SCHEMBL3243717 0.81 SLC6A9 (0.42) SLC6A9KMT2ATP53ALDH1A1HPGD
SCHEMBL13303916 0.81 SLC6A9 (0.47) SLC6A9KMT2ARXFP1MAPK1ALDH1A1
SCHEMBL3236242 0.81 SLC6A9 (0.54) SLC6A9SLC6A5
SCHEMBL3233042 0.80 SLC6A9 (0.52) SLC6A9ALDH1A1HPGDSLC6A5
SCHEMBL3238270 0.79 ALDH1A1 (0.57) SLC6A9KMT2ATP53MAPK1ALDH1A1

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
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 ROCK2 3687/4885SLC6A9 13/4885KMT2A 1871/4885

“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.