SCHEMBL3239594

SCHEMBL3239594

COc1ccc(C(F)(F)F)cc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
SLC6A9 P48067 1/20 0.42
MTTP P55157 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PPARA Q07869 6/20 0.40
PPARD Q03181 1/20 0.40
KLRK1 P26718 2/20 0.39
MICA Q29983 2/20 0.39
RAET1L Q5VY80 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL3239348 0.87 KLRK1 (0.41) KCNQ3KCNQ2SLC6A9KLRK1MICA
SCHEMBL3240099 0.86 CRHR1 (0.46) SLC6A9ALDH1A1KLRK1MICARAET1L
SCHEMBL3237631 0.85 SLC6A9 (0.48) KCNQ3KCNQ2SLC6A9KLRK1MICA
SCHEMBL3236119 0.85 NR1H4 (0.45) SLC6A9ALDH1A1HPGDPPARARXFP1
SCHEMBL3239737 0.85 POLB (0.47) ALDH1A1HPGDRXFP1
SCHEMBL3238270 0.84 ALDH1A1 (0.57) SLC6A9ALDH1A1HPGD
SCHEMBL3236242 0.83 SLC6A9 (0.54) SLC6A9
SCHEMBL3238721 0.81 ALDH1A1 (0.46) SLC6A9MTTPALDH1A1HPGD
SCHEMBL3237710 0.81 ALDH1A1 (0.42) SLC6A9ALDH1A1HPGDRXFP1
SCHEMBL4357362 0.81 PLK1 (0.50) SLC6A9ALDH1A1HPGD

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 KCNQ3 719/4885KCNQ2 571/4885SLC6A9 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.