SCHEMBL10185379

SCHEMBL10185379

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(N2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.45
DGAT1 O75907 5/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
SOAT1 P35610 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10185767 0.99 HRH3 (0.44) HRH3DGAT1MAPTNPC1RAB9A
SCHEMBL10186506 0.92 HRH3 (0.45) HRH3DGAT1ARSOAT1FFAR4
SCHEMBL10184973 0.90 HRH3 (0.44) HRH3MAPTARALDH1A1ALOX15
SCHEMBL10186471 0.90 DGAT1 (0.48) HRH3DGAT1SOAT1
SCHEMBL10185751 0.89 HRH3 (0.44) HRH3DGAT1MAPTALDH1A1ALOX15
SCHEMBL10186112 0.89 HRH3 (0.44) HRH3MAPTNPC1RAB9AAR
SCHEMBL10185079 0.88 HRH3 (0.53) HRH3DGAT1MAPTRAB9AALDH1A1
SCHEMBL10185745 0.88 HRH3 (0.44) HRH3DGAT1MAPTNPC1RAB9A
SCHEMBL10186257 0.88 HRH3 (0.53) HRH3DGAT1MAPTALDH1A1ALOX15
SCHEMBL10185386 0.87 RXFP1 (0.43) HRH3MAPTNPC1RAB9AALOX15

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 2422/4885DGAT1 1/4885MAPT 2628/4885

“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.