SCHEMBL10186172

SCHEMBL10186172

Cc1cc(O[C@H]2CC[C@@H](C(=O)O)CC2)ccc1C(=O)NCCNC(=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
CHRM5 P08912 1/20 0.47
CCR3 P51677 1/20 0.45
GRM5 P41594 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACSL1 P33121 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL10185353 0.91 PTGDR2 (0.40) CCR3ALDH1A1SMN1; SMN2ACSL1PTGDR2
SCHEMBL10186424 0.90 ALDH1A1 (0.46) NPC1ALDH1A1SMN1; SMN2ACSL1PTGDR2
SCHEMBL10186131 0.89 NPC1 (0.49) CHRM1CHRM5CCR3GRM5NPC1
SCHEMBL10186162 0.89 CCR3 (0.44) CCR3ALDH1A1ACSL1PTGDR2
SCHEMBL10185105 0.89 CCR3 (0.49) CCR3NPC1RAB9AACSL1PTGDR2
SCHEMBL10185364 0.89 CCR3 (0.44) CHRM5CCR3SLC5A7MEN1KMT2A
SCHEMBL10185361 0.88 SLC5A7 (0.42) CCR3SLC5A7MEN1KMT2ANPC1
SCHEMBL10184386 0.87 CCR3 (0.42) CCR3SLC5A7MEN1KMT2ANPC1
SCHEMBL10184943 0.87 DGAT1 (0.46) SLC5A7RAB9AACSL1
SCHEMBL10186165 0.86 CCR3 (0.43) CHRM1CCR3SLC5A7MEN1KMT2A

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 CHRM1 2527/4885CHRM5 3681/4885CCR3 4296/4885

“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.