SCHEMBL10185146

SCHEMBL10185146

Cc1cc(O[C@H]2CC[C@@H](C(=O)O)CC2)ccc1C(=O)NCCNC(=O)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ F10 P00742 7/20 0.42
▸ F2 P00734 3/20 0.42
▸ DGAT1 O75907 5/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ACSL1 P33121 1/20 0.39
▸ HRH1 P35367 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL10184949 0.90 DGAT1 (0.39) DGAT1ACSL1CCR3HRH3PTGDR2
SCHEMBL10186440 0.89 PTGDR2 (0.38) DGAT1ACSL1HRH1CCR3HRH3
SCHEMBL10184505 0.89 HRH3 (0.43) MAPK1F10F2DGAT1ACSL1
SCHEMBL10184880 0.86 DGAT1 (0.49) MAPK1F10F2DGAT1HPGD
SCHEMBL10186309 0.85 F10 (0.42) MAPK1F10F2DGAT1NPC1
SCHEMBL10186424 0.85 ALDH1A1 (0.46) DGAT1NPC1ALDH1A1SMN1; SMN2ACSL1
SCHEMBL10185353 0.84 PTGDR2 (0.40) DGAT1ALDH1A1SMN1; SMN2ACSL1CCR3
SCHEMBL10185364 0.83 CCR3 (0.44) MAPK1MEN1NPC1HPGDRAB9A
SCHEMBL10186162 0.83 CCR3 (0.44) DGAT1ALDH1A1HPGDACSL1HRH1
SCHEMBL10185105 0.83 CCR3 (0.49) NPC1HPGDRAB9AACSL1HRH1

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 MAPK1 2553/4885F10 3477/4885F2 3429/4885

“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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