SCHEMBL664031

SCHEMBL664031

O=C(O)C1CCC(Oc2cccc(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ACSL1 P33121 10/20 0.51
ACSL3 O95573 1/20 0.50
ACSL6 Q9UKU0 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 2/20 0.44
ABHD6 Q9BV23 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
FAAH O00519 1/20 0.43
ABL1 P00519 1/20 0.43
DGAT1 O75907 3/20 0.42
SOAT1 P35610 2/20 0.42

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
SCHEMBL10147937 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ACSL1ACSL3
SCHEMBL20064351 0.86 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL21222044 0.86 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7235082 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL1749499 0.82 ACSL1 (0.56) SLC6A2SLC6A4SLC6A3ACSL1ACSL3
SCHEMBL663949 0.82 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL663950 0.82 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL26637453 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ACSL1ACSL3
SCHEMBL26637455 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ACSL1ACSL3
SCHEMBL10185234 0.81 DGAT1 (0.48) ACSL1KMT2AABL1DGAT1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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 (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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 SLC6A2 428/4885SLC6A4 997/4885SLC6A3 296/4885

“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.