SCHEMBL10185100

SCHEMBL10185100

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.55
SMYD3 Q9H7B4 2/20 0.50
HDAC3 O15379 6/20 0.48
HDAC4 P56524 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC10 Q969S8 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR1A P08908 2/20 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
Hydrochloric Acid SCHEMBL663533 0.99 DGAT1 (0.54) DGAT1SMYD3HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL663532 0.99 DGAT1 (0.54) DGAT1SMYD3HDAC3HDAC4HDAC1
SCHEMBL662487 0.89 DGAT1 (0.56) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13117565 0.89 DGAT1 (0.53) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL662997 0.87 DGAT1 (0.57) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL662996 0.87 DGAT1 (0.57) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL662092 0.87 DGAT1 (0.54) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL662093 0.87 DGAT1 (0.54) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10185532 0.87 DGAT1 (0.57) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL664785 0.87 DGAT1 (0.52) DGAT1HDAC3HDAC4HDAC1HDAC7

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 DGAT1 1/4885SMYD3 447/4885HDAC3 974/4885

“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.