SCHEMBL3243834

SCHEMBL3243834

COc1ccc(Cl)c(C(=O)NC(c2ccccc2)C(C)(C)N2CCCC2C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TYK2 P29597 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
P2RY12 Q9H244 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNK3 O14649 1/20 0.36

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
SCHEMBL3243976 0.88 LMNA (0.40) P2RX7ALDH1A1MEN1KMT2AMAPK1
SCHEMBL3238718 0.85 P2RX7 (0.43) P2RX7ALDH1A1TYK2P2RY12KCNK3
SCHEMBL3244920 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AITGB3ITGA2B
SCHEMBL3233196 0.81 SLC6A9 (0.42) ALDH1A1KMT2AKCNK3
SCHEMBL3244796 0.79 TAS1R3 (0.44) P2RX7ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL3240092 0.79 SLC6A9 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL3232882 0.79 SLC6A9 (0.45) P2RX7ALDH1A1
SCHEMBL3242223 0.78 NPC1 (0.40) ALDH1A1KMT2AITGB3ITGA2BKCNK3
SCHEMBL3237083 0.78 POLB (0.42) ALDH1A1ITGB3ITGA2BKCNK3
SCHEMBL3244195 0.77 SLC6A9 (0.59) P2RX7

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 P2RX7 2285/4885ALDH1A1 1356/4885MEN1 2501/4885

“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.