SCHEMBL10184499

SCHEMBL10184499

O=C(NCCNC(=O)c1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
NAMPT P43490 1/20 0.43
OPRM1 P35372 2/20 0.42
UTS2R Q9UKP6 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
ACKR3 P25106 2/20 0.41
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD1 P21728 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
SCHEMBL10185074 0.90 UTS2R (0.40) UTS2RRXFP1
SCHEMBL10185723 0.90 UTS2R (0.45) RAB9AUTS2RRXFP1MEN1KMT2A
SCHEMBL10185399 0.89 L3MBTL1 (0.49) RXFP1POLBHDAC3HDAC4HDAC1
SCHEMBL10185350 0.89 UTS2R (0.45) UTS2RRXFP1
SCHEMBL10186255 0.89 PRSS12 (0.41) UTS2RRXFP1
SCHEMBL10186513 0.89 CHRNA7 (0.42) RXFP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10185037 0.88 NAMPT (0.46) RAB9ASLC6A2SLC6A4NAMPTOPRM1
SCHEMBL10185635 0.88 NAMPT (0.45) RAB9ASLC6A2SLC6A4NAMPTOPRM1
SCHEMBL10185434 0.88 RAB9A (0.44) RAB9ASLC6A2SLC6A4NAMPTOPRM1
SCHEMBL10186534 0.84 RAB9A (0.46) RAB9ASLC6A2SLC6A4NAMPTOPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US 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 1660/4885SLC6A2 428/4885SLC6A4 997/4885

“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.