SCHEMBL10185108

SCHEMBL10185108

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1cc2cccc(F)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.42
HTR3A P46098 3/20 0.41
MMP12 P39900 2/20 0.35
ENPP2 Q13822 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
ACSL1 P33121 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL10186513 0.90 CHRNA7 (0.42) CHRNA7HTR3AMMP12ENPP2RXFP1
SCHEMBL10185384 0.88 CHRNA7 (0.42) CHRNA7HTR3AMMP12ENPP2DGAT1
SCHEMBL10184519 0.88 CHRNA7 (0.42) CHRNA7HTR3AMMP12DGAT1SOAT1
SCHEMBL10185037 0.88 NAMPT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10185769 0.87 L3MBTL1 (0.49) CHRNA7MMP12RXFP1DGAT1SOAT1
SCHEMBL10185749 0.84 CHRNA7 (0.43) CHRNA7HTR3AMMP12DGAT1SOAT1
SCHEMBL10186474 0.84 DGAT1 (0.47) CHRNA7HTR3AMMP12DGAT1SOAT1
SCHEMBL10186508 0.83 UTS2R (0.48) CHRNA7HTR3ADGAT1UTS2R
SCHEMBL10186271 0.83 UTS2R (0.42) CHRNA7HTR3AMMP12DGAT1HDAC1
SCHEMBL10184512 0.82 UTS2R (0.47) CHRNA7HTR3AUTS2R

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 CHRNA7 4193/4885HTR3A 2690/4885MMP12 1217/4885

“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.