SCHEMBL10185121

SCHEMBL10185121

CC(=O)N[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)c3ccc4ccccc4c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
DGAT1 O75907 1/20 0.52
DRD4 P21917 7/20 0.49
FAAH O00519 4/20 0.48
EPHX2 P34913 4/20 0.48
SMYD3 Q9H7B4 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
SLC6A12 P48065 1/20 0.47
SLC6A13 Q9NSD5 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL10185802 0.88 RAB9A (0.53) RAB9ADGAT1DRD4FAAHEPHX2
SCHEMBL662487 0.85 DGAT1 (0.56) RAB9ADGAT1HRH3DRD2DRD3
SCHEMBL10185100 0.84 DGAT1 (0.55) RAB9ADGAT1SMYD3HRH3DRD2
SCHEMBL10185532 0.84 DGAT1 (0.57) RAB9ADGAT1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL663532 0.84 DGAT1 (0.54) RAB9ADGAT1SMYD3HRH3DRD2
SCHEMBL662996 0.84 DGAT1 (0.57) RAB9ADGAT1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL663533 0.84 DGAT1 (0.54) RAB9ADGAT1SMYD3HRH3DRD2
SCHEMBL662997 0.84 DGAT1 (0.57) RAB9ADGAT1HDAC3HDAC4HDAC1
SCHEMBL662093 0.84 DGAT1 (0.54) RAB9ADGAT1HRH3HDAC3HDAC4
SCHEMBL662092 0.84 DGAT1 (0.54) RAB9ADGAT1HRH3HDAC3HDAC4

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 RAB9A 1660/4885DGAT1 1/4885DRD4 1215/4885

“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.