SCHEMBL3875730

SCHEMBL3875730

CC(C(Cl)CCl)C(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.46
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
GABRR1 P24046 2/20 0.37

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
SCHEMBL3874518 0.81
SCHEMBL3873594 0.77 SLC7A5 (0.55) SLC7A5USP2SLCO1B1GABRPGABRD
SCHEMBL7636161 0.74 SLC7A5 (0.46) SLC7A5USP2SLCO1B1GABRPGABRD
SCHEMBL3381845 0.73 SLC7A5 (0.39) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL6377682 0.72 SLC7A5 (0.55) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
Valine SCHEMBL28757866 0.72 SLC7A5 (0.79) SLC7A5USP2SLCO1B1GABRPGABRD
SCHEMBL23097183 0.71 USP2 (0.65) SLC7A5USP2SLCO1B1GABRPGABRD
SCHEMBL4962916 0.71 USP2 (0.48) SLC7A5USP2SLCO1B1GABRPGABRD
SCHEMBL13502424 0.71 USP2 (0.48) SLC7A5USP2SLCO1B1GABRPGABRD
SCHEMBL3573869 0.71 USP2 (0.48) SLC7A5USP2SLCO1B1GABRPGABRD

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
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO 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-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 SLC7A5 4883/4885USP2 2247/4885SLCO1B1 4042/4885

“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.