SCHEMBL10186162

SCHEMBL10186162

Cc1cc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2C)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.44
SCN9A Q15858 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
DGAT1 O75907 3/20 0.39
HRH1 P35367 3/20 0.39
ACSL1 P33121 3/20 0.39
HPGD P15428 1/20 0.39
P2RX7 Q99572 1/20 0.39
KCNH2 Q12809 1/20 0.39
WDR5 P61964 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
MCL1 Q07820 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
SCHEMBL10186457 0.95 CCR3 (0.46) CCR3SCN9ADGAT1HRH1ACSL1
SCHEMBL10185105 0.94 CCR3 (0.49) CCR3PTGDR2HRH1ACSL1HPGD
SCHEMBL10186159 0.93 HRH3 (0.43) CCR3SCN9ADGAT1HRH1ACSL1
SCHEMBL10185364 0.92 CCR3 (0.44) CCR3PTGDR2HRH1ACSL1HPGD
SCHEMBL10185451 0.92 DGAT1 (0.46) CCR3DGAT1HPGDHRH3
SCHEMBL662784 0.92 DGAT1 (0.46) CCR3DGAT1HPGDHRH3
SCHEMBL662783 0.92 DGAT1 (0.46) CCR3DGAT1HPGDHRH3
SCHEMBL10186165 0.92 CCR3 (0.43) CCR3SCN9APTGDR2DGAT1HRH1
SCHEMBL10185788 0.91 CCR3 (0.45) CCR3SCN9ADGAT1HRH1ACSL1
SCHEMBL10186081 0.90 CCR3 (0.43) CCR3SCN9AHRH1HPGDP2RX7

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 CCR3 4296/4885SCN9A 3832/4885PTGDR2 2134/4885

“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.