SCHEMBL6074929

SCHEMBL6074929

OC(CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 1/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL6075263 0.83 SLC6A4 (0.50) SLC6A4SLC6A3CYP2D6CYP1A2CYP2C19
SCHEMBL6074764 0.74 SLC6A4 (0.45) SLC6A4SLC6A3CYP2D6CYP1A2CYP2C19
SCHEMBL6075150 0.73 SLC6A4 (0.44) SLC6A4SLC6A3CNR2
SCHEMBL6075368 0.73 NPC1 (0.55) SLC6A4SLC6A3CYP1A2TSHRMAPK1
SCHEMBL6076047 0.70 SLC6A4 (0.55) SLC6A4SLC6A3
SCHEMBL6075295 0.70 NPC1 (0.54) CYP2D6CYP1A2LMNASMN1; SMN2MAPK1
SCHEMBL6075208 0.69 SLC6A4 (0.58) SLC6A4SLC6A3
SCHEMBL6074757 0.68 MAPT (0.50) CYP1A2GAAHPGDMAPK1CNR2
SCHEMBL9226244 0.67 TSHR (0.43) SLC6A4SLC6A3CYP2C19GAALMNA
SCHEMBL6075525 0.67 ALDH1A1 (0.40) SLC6A4SLC6A3CYP2D6CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US disclosed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US disclosed
EP-1539685-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
WO-2004014847-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof CCR2, CCR1, CCL2 SLC6A4 1229/4885SLC6A3 1045/4885CYP2D6 1595/4885

“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.