SCHEMBL10186238

SCHEMBL10186238

O=C(NCCNC(=O)c1c(F)cc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1cc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.43
PLD2 O14939 1/20 0.43
PLD1 Q13393 1/20 0.43
ACKR3 P25106 2/20 0.42
NAMPT P43490 1/20 0.42
DRD2 P14416 5/20 0.41
DRD3 P35462 4/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK1 P49759 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 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
SCHEMBL10184522 0.90 CHRNA7 (0.40) RAB9ASLC6A2SLC6A4CLK1HDAC1
SCHEMBL10186287 0.90 UTS2R (0.43) RAB9AMEN1POLBKMT2ACLK1
SCHEMBL10185434 0.89 RAB9A (0.44) RAB9ASLC6A2SLC6A4OPRM1PLD2
SCHEMBL10185773 0.89 L3MBTL1 (0.51) RAB9APOLBHDAC3HDAC4HDAC1
SCHEMBL10185744 0.88 PRSS12 (0.43) SLC6A2SLC6A4UTS2R
SCHEMBL10185736 0.88 UTS2R (0.42) RAB9ASLC6A2SLC6A4DRD2DRD3
SCHEMBL10185749 0.88 CHRNA7 (0.43) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL10185195 0.86 DGAT1 (0.50) RAB9ASLC6A2SLC6A4PLD2PLD1
SCHEMBL10186534 0.85 RAB9A (0.46) RAB9ASLC6A2SLC6A4OPRM1PLD2
SCHEMBL10184499 0.84 RAB9A (0.44) RAB9ASLC6A2SLC6A4OPRM1PLD2

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.