SCHEMBL10186287

SCHEMBL10186287

O=C(NCCNC(=O)c1c(F)cc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1cc2cc(F)ccc2s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.43
CHRNA7 P36544 4/20 0.41
DGAT1 O75907 4/20 0.41
HTR3A P46098 2/20 0.40
CLK1 P49759 6/20 0.40
MMP12 P39900 1/20 0.37
CLK2 P49760 2/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36
SOAT1 P35610 2/20 0.36
LMNA P02545 1/20 0.35

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 0.93 CHRNA7 (0.40) UTS2RCHRNA7DGAT1HTR3ACLK1
SCHEMBL10185736 0.91 UTS2R (0.42) UTS2RCHRNA7DGAT1HTR3ACLK1
SCHEMBL10186238 0.90 RAB9A (0.46) UTS2RCLK1MEN1RAB9AKMT2A
SCHEMBL662829 0.89 CLK1 (0.42) UTS2RCHRNA7DGAT1HTR3ACLK1
SCHEMBL10185144 0.89 CLK1 (0.42) UTS2RCHRNA7DGAT1HTR3ACLK1
SCHEMBL662828 0.89 CLK1 (0.42) UTS2RCHRNA7DGAT1HTR3ACLK1
SCHEMBL10185623 0.88 DGAT1 (0.51) UTS2RCHRNA7DGAT1HTR3ACLK1
SCHEMBL10185744 0.86 PRSS12 (0.43) UTS2RCHRNA7DGAT1MMP12SOAT1
SCHEMBL10186304 0.85 UTS2R (0.43) UTS2RCHRNA7DGAT1HTR3ACLK1
SCHEMBL10185773 0.84 L3MBTL1 (0.51) CHRNA7DGAT1MMP12RAB9ANPC1

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 UTS2R 2678/4885CHRNA7 4193/4885DGAT1 1/4885

“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.