SCHEMBL10185751

SCHEMBL10185751

O=C(NCCNC(=O)c1c(F)cc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1ccc(N2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
SMYD3 Q9H7B4 2/20 0.41
DGAT1 O75907 3/20 0.40
HTR1A P08908 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD4 P21917 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
SCHEMBL10185745 0.99 HRH3 (0.44) HRH3SMYD3DGAT1HTR1AALDH1A1
SCHEMBL10186517 0.92 USP2 (0.42) HRH3DGAT1HTR1AALDH1A1MAPT
SCHEMBL10185379 0.89 HRH3 (0.45) HRH3SMYD3DGAT1ALDH1A1MAPT
SCHEMBL10185767 0.88 HRH3 (0.44) HRH3SMYD3DGAT1ALDH1A1MAPT
SCHEMBL10185079 0.88 HRH3 (0.53) HRH3SMYD3DGAT1ALDH1A1MAPT
SCHEMBL10186257 0.87 HRH3 (0.53) HRH3SMYD3DGAT1ALDH1A1MAPT
SCHEMBL10186532 0.86 SMYD3 (0.41) HRH3SMYD3ALDH1A1MAPTALOX15
SCHEMBL10185739 0.86 SLC5A7 (0.44) HRH3SMYD3DGAT1KMT2A
SCHEMBL10185422 0.85 DGAT1 (0.43) DGAT1ALDH1A1KMT2A
SCHEMBL10186283 0.85 SLC5A7 (0.44) HRH3SMYD3DGAT1ALOX15KMT2A

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 2422/4885SMYD3 447/4885DGAT1 1/4885

“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.