SCHEMBL6139596

SCHEMBL6139596

O=C(/C=C/C(=O)OCCCC1(c2ccc(Cl)c(Cl)c2)CCCNC1)OCCCC1(c2ccc(Cl)c(Cl)c2)CCCNC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.63
SLC6A3 Q01959 15/20 0.63
SLC6A2 P23975 13/20 0.63
CYP2D6 P10635 1/20 0.58

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
Fumaric Acid SCHEMBL6139595 0.82 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2CYP2D6
Fumaric Acid SCHEMBL6139599 0.82 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3465561 0.81 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3465566 0.81 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL6139409 0.81 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466791 0.81 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL6543325 0.79 SLC6A4 (0.83) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466114 0.79 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466893 0.79 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466951 0.79 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2CYP2D6

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
US-6946269-B2 Alkyl esters of 3-(3,4-dihalophenyl)-2,6-dioxopiperidine-3-propionic acid of use as intermediates SANOFI-AVENTIS (FR) 2005-09-20 US disclosed
US-20040110796-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2, 6 -di -oxopiperidine-3 -propionic acid of use as intermediates SANOFI-AVENTIS (FR) 2004-06-10 US disclosed
US-6686182-B2 ANTAGONISTS OF NATURAL KILLER CELL-3 RECEPTORS SANOFI-SYNTHELABO (FR) 2004-02-03 US disclosed
US-20030032810-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2,6-dioxopoperidine-3-propionic acid of use as intermediates SANOFI-AVENTIS (FR) 2003-02-13 US disclosed
US-6469173-B1 AN INTERMEDIATE OF USE IN THE PREPARATION OF OSANETANT. OSANETANT IS A SPECIFIC ANTAGONIST OF NK3 RECEPTORS SANOFI-SYNTHELABO (FR) 2002-10-22 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 (2 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-20030032810-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2,6-dioxopoperidine-3-propionic acid of use as intermediates PCCA, NAPEPLD, DECR2 SLC6A4 1101/4885SLC6A3 455/4885SLC6A2 1385/4885
US-20040110796-A1 Alkyl esters of 3- (3,4-dihalophenyl) -2, 6 -di -oxopiperidine-3 -propionic acid of use as intermediates NAPEPLD, FFAR3, APEH SLC6A4 1230/4885SLC6A3 442/4885SLC6A2 1278/4885

“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.