SCHEMBL3239596

SCHEMBL3239596

COc1c(C)cc(C)cc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
SLC6A9 P48067 10/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PYGL P06737 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3243792 0.84 POLB (0.47) SLC6A9SLC6A5MEN1KMT2A
SCHEMBL3239525 0.84 UTS2R (0.43) SLC6A9KDM4ESLC6A5KMT2A
SCHEMBL3236708 0.83 SLC6A9 (0.48) SLC6A9SLC6A5PYGLMEN1KMT2A
SCHEMBL3238379 0.82 ACLY (0.45) SLC6A9KDM4EMEN1KMT2A
SCHEMBL3233235 0.82 MEN1 (0.42) CYP2C9MEN1KMT2A
SCHEMBL3243825 0.82 TAS1R3 (0.42) SLC6A9PKMMEN1KMT2A
SCHEMBL3237287 0.81 SLC6A9 (0.45) SLC6A9SLC6A5
SCHEMBL3237710 0.81 ALDH1A1 (0.42) SLC6A9CYP2C9MEN1KMT2A
SCHEMBL3232935 0.80 SLC6A9 (0.47) SLC6A9SLC6A5KMT2A
SCHEMBL3238270 0.80 ALDH1A1 (0.57) SLC6A9MEN1KMT2A

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 5 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

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 CNR1 1607/4885CNR2 1581/4885SLC6A9 13/4885

“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.