SCHEMBL3238239

SCHEMBL3238239

CN(C)C1(C(NC(=O)c2ccc(Cl)cc2-c2cccc(Cl)c2)c2ccccc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.42
TACR3 P29371 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
DCAF1 Q9Y4B6 2/20 0.38
SLC6A9 P48067 1/20 0.38
MAPK1 P28482 4/20 0.37
MAPK10 P53779 3/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TP53 P04637 1/20 0.37
KCNA3 P22001 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR139 Q6DWJ6 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
SCHEMBL3239515 0.93 KCNA3 (0.44) CHRM1TACR3CYP3A4CYP2D6CYP2C9
SCHEMBL3240657 0.93 TACR3 (0.43) CHRM1TACR3CYP3A4CYP2D6CYP2C9
SCHEMBL3237602 0.85 GPR139 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9
SCHEMBL3244199 0.85 MEN1 (0.49) CYP2C19SLC6A9MEN1KMT2A
SCHEMBL3239983 0.84 UTS2R (0.42) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9
SCHEMBL3237670 0.82 GAA (0.44) TACR3MEN1KMT2A
SCHEMBL3237145 0.82 AVPR2 (0.43) SLC6A9MEN1KMT2A
SCHEMBL4355245 0.81 MEN1 (0.41) TACR3CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3234711 0.78 SLC6A9 (0.40) SLC6A9MEN1KMT2A
SCHEMBL3244636 0.78 THRB (0.43) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9

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 CHRM1 2029/4885TACR3 1512/4885CYP3A4 1048/4885

“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.