SCHEMBL3232907

SCHEMBL3232907

Cc1cc(C)c(C(=O)NC(c2ccccc2)C(C)(C)N2CCCC2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SLC6A9 P48067 8/20 0.38
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
LMNA P02545 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3240097 0.92 SLC6A9 (0.46) ALDH1A1SLC6A9LMNASLC6A5KDM4E
SCHEMBL3242223 0.88 NPC1 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL3237083 0.86 POLB (0.42) ALDH1A1LMNAKDM4EITGB3ITGA2B
SCHEMBL3238447 0.85 SLC6A9 (0.40) ALDH1A1SLC6A9LMNASLC6A5KDM4E
SCHEMBL3244920 0.84 ALDH1A1 (0.39) ALDH1A1SLC6A9LMNAKDM4ECYP3A4
SCHEMBL3240061 0.84 KCNK3 (0.34) ALDH1A1SLC6A9LMNAKDM4ECYP3A4
SCHEMBL3240092 0.82 SLC6A9 (0.47) ALDH1A1SLC6A9
SCHEMBL3233025 0.82 SLC6A9 (0.39) ALDH1A1SLC6A9TAS1R3TAS1R1TAS1R2
SCHEMBL13303739 0.82 SLC6A9 (0.36) ALDH1A1SLC6A9LMNAKDM4ECYP3A4
SCHEMBL3244796 0.81 TAS1R3 (0.44) ALDH1A1SLC6A9TAS1R3TAS1R1TAS1R2

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 ALDH1A1 1356/4885SLC6A9 13/4885TAS1R3 3167/4885

“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.