SCHEMBL6826640

SCHEMBL6826640

O=C(O)CNCCCC(Oc1ccc(C(=O)c2ccncc2)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
SLC6A4 P31645 1/20 0.41
GCG P01275 4/20 0.41
GCGR P47871 4/20 0.41
SLC6A9 P48067 7/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK14 Q16539 1/20 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
SCHEMBL6826259 0.90 SLC6A4 (0.39) LTA4HSLC6A4GCGGCGRSLC6A9
SCHEMBL6823045 0.90 SLC6A4 (0.41) LTA4HSLC6A4GCGGCGRSLC6A9
SCHEMBL7214342 0.89 SLC6A4 (0.45) SLC6A4GCGGCGRSLC6A9ALDH1A1
SCHEMBL6826677 0.85 SLC6A4 (0.43) LTA4HSLC6A4GCGGCGRSLC6A9
SCHEMBL6826424 0.85 GCGR (0.38) SLC6A4GCGGCGRSLC6A9ALDH1A1
SCHEMBL7208064 0.83 SLC6A4 (0.46) LTA4HSLC6A4GCGGCGRSLC6A9
SCHEMBL6826264 0.81 SLC6A4 (0.39) LTA4HSLC6A4GCGGCGRSLC6A9
SCHEMBL7208559 0.78 SLC6A9 (0.51) SLC6A4GCGGCGRSLC6A9MAPT
SCHEMBL6826945 0.78 HPGD (0.50) SLC6A4GCGGCGRSLC6A9
SCHEMBL6826621 0.78 SLC6A4 (0.45) LTA4HSLC6A4SLC6A9CYP2D6CYP2C9

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 LTA4H 4297/4885SLC6A4 7/4885GCG 588/4885

“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.