SCHEMBL6823306

SCHEMBL6823306

COc1ccc(C(=O)c2ccc(OC(CCN(C)CC(=O)O)c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP2D6 P10635 1/20 0.72
MAPT P10636 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
SLC6A5 Q9Y345 1/20 0.72

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
SCHEMBL6823016 0.93 SLC6A9 (0.80) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826550 0.92 SLC6A9 (0.64) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826654 0.92 SLC6A9 (0.82) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL7214332 0.92 SLC6A9 (0.72) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826926 0.91 SLC6A9 (0.82) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6828439 0.91 SLC6A9 (0.70) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6823166 0.90 SLC6A9 (0.83) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826631 0.90 SLC6A9 (0.69) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL7209161 0.90 SLC6A9 (0.75) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826941 0.89 SLC6A9 (0.69) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9

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
EP-1294677-B1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PROD INC (US) 2004-11-03 EP disclosed
EP-1294677-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE Pfizer Products Inc. (US) 2003-03-26 EP disclosed
US-6506780-B2 Benzophenones and sulfones as inhibitors of glycine uptake PFIZER INC. 2003-01-14 US disclosed
US-20020052401-A1 Benzophenones and sulfones as inhibitors of glycine uptake PFIZER INC. 2002-05-02 US disclosed
WO-2002000602-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PRODUCTS INC. (US) 2002-01-03 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-20020052401-A1 Benzophenones and sulfones as inhibitors of glycine uptake SLC6A1, SLC6A5, SLC1A2 SLC6A9 9/4885ALDH1A1 2648/4885CYP2D6 262/4885

“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.