SCHEMBL3239965

SCHEMBL3239965

COc1cc(F)cc(F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A9 P48067 2/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 2/20 0.33
BRPF1 P55201 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
CTSD P07339 1/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
GPR6 P46095 1/20 0.33

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
SCHEMBL3240092 0.86 SLC6A9 (0.47) SLC6A9ALDH1A1KMT2APOLBTACR1
SCHEMBL3237806 0.85 ROCK2 (0.43) ROCK2SLC6A9ALDH1A1KMT2ATP53
SCHEMBL8265699 0.84 KMT2A (0.35) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9
SCHEMBL3241381 0.83 HCRTR1 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9
SCHEMBL8265669 0.82
SCHEMBL3233196 0.82 SLC6A9 (0.42) SLC6A9ALDH1A1BRD4BRPF1KMT2A
SCHEMBL3232907 0.79 ALDH1A1 (0.39) CYP3A4CYP2D6SLC6A9ALDH1A1LMNA
SCHEMBL3240097 0.79 SLC6A9 (0.46) SLC6A9ALDH1A1LMNA
SCHEMBL3244920 0.78 ALDH1A1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9
SCHEMBL3243976 0.76 LMNA (0.40) ALDH1A1KMT2ALMNA

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 ROCK2 3687/4885CYP3A4 1048/4885CYP2D6 443/4885

“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.