SCHEMBL10185635

SCHEMBL10185635

O=C(NCCNC(=O)c1cc2ccccc2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
RAB9A P51151 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 2/20 0.42
PIN1 Q13526 1/20 0.42
ACKR3 P25106 1/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
AR P10275 1/20 0.40
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
HDAC1 Q13547 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 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
SCHEMBL10185102 0.90 UTS2R (0.42) UTS2RARHDAC1PDE4APDE4B
SCHEMBL10185381 0.90 UTS2R (0.47) UTS2RHDAC1PDE4APDE4BPDE4C
SCHEMBL10186284 0.89 L3MBTL1 (0.49) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL10186534 0.89 RAB9A (0.46) NAMPTRAB9AUTS2RSLC6A2SLC6A4
SCHEMBL10186507 0.89 PRSS12 (0.46) UTS2RHDAC1
SCHEMBL10185719 0.89 UTS2R (0.46) UTS2RARHDAC1
SCHEMBL10185384 0.89 CHRNA7 (0.42) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL10184499 0.88 RAB9A (0.44) NAMPTRAB9AUTS2RSLC6A2SLC6A4
SCHEMBL10185037 0.86 NAMPT (0.46) NAMPTRAB9AUTS2RSLC6A2SLC6A4
SCHEMBL10185195 0.86 DGAT1 (0.50) NAMPTRAB9ASLC6A2SLC6A4ACKR3

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 NAMPT 423/4885RAB9A 1660/4885UTS2R 2678/4885

“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.