SCHEMBL10186181

SCHEMBL10186181

Cc1cc(C(=O)NCCNC(=O)c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 16/20 0.47
▸ DRD4 P21917 1/20 0.44
▸ USP5 P45974 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10185472 0.90 HPGD (0.51) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL661514 0.85 DGAT1 (0.59) DGAT1USP5ALDH1A1SMN1; SMN2
SCHEMBL10186290 0.84 FFAR4 (0.46) DRD4
SCHEMBL663307 0.83 SMN1; SMN2 (0.43) DRD4USP5ALDH1A1SMN1; SMN2
SCHEMBL663308 0.83 SMN1; SMN2 (0.43) DRD4USP5ALDH1A1SMN1; SMN2
SCHEMBL10184835 0.81 HPGD (0.44) ALDH1A1SMN1; SMN2
SCHEMBL10184275 0.80 HPGD (0.54) ALDH1A1SMN1; SMN2
SCHEMBL10186205 0.80 DGAT1 (0.52) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL13117523 0.78 DGAT1 (0.52) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL10185470 0.78 NPC1 (0.55) DGAT1ALDH1A1SMN1; SMN2

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
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 — — 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 DGAT1 1/4885DRD4 1215/4885USP5 3672/4885

“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.

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