SCHEMBL10186178

SCHEMBL10186178

CCc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
CCR3 P51677 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
DGAT1 O75907 5/20 0.41
USP2 O75604 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10185397 0.91 NPC1 (0.48) HRH3CCR3SMN1; SMN2MEN1NPC1
SCHEMBL10186453 0.90 DGAT1 (0.42) HRH3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL10186435 0.90 HRH3 (0.45) HRH3CCR3SMN1; SMN2MEN1NPC1
SCHEMBL10185474 0.89 HRH3 (0.45) HRH3DGAT1ACSL1SLC5A7
SCHEMBL10185149 0.88 DGAT1 (0.50) HRH3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL10184399 0.88 TRPV1 (0.51) CHRM2
SCHEMBL10186182 0.87 PTGDR2 (0.44) HRH3CCR3SMN1; SMN2MEN1NPC1
SCHEMBL10185151 0.87 CCR3 (0.50) HRH3CCR3SMN1; SMN2MEN1NPC1
SCHEMBL10184944 0.86 PTGDR2 (0.44) HRH3CCR3DGAT1PTGDR2ACSL1
SCHEMBL10186457 0.86 CCR3 (0.46) HRH3CCR3SMN1; SMN2MEN1NPC1

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 HRH3 2422/4885CCR3 4296/4885SMN1; SMN2 4464/4885

“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.