SCHEMBL10186245

SCHEMBL10186245

O=C(NCCNC(=O)N1CCC(c2ccc(Cl)cc2)CC1)c1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.44
USP5 P45974 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
EPHX2 P34913 5/20 0.41
RXFP1 Q9HBX9 1/20 0.39
CCR1 P32246 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2J2 P51589 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL10186249 0.88 CCR1 (0.45) CHRM4USP5EPHX2CCR1CYP2C9
SCHEMBL10185639 0.88 USP5 (0.47) CHRM4USP5HDAC6EPHX2CCR1
SCHEMBL10185645 0.88 CHRM4 (0.45) CHRM4USP5HDAC6EPHX2CCR1
SCHEMBL10186242 0.85 CHRM4 (0.45) CHRM4USP5HDAC6EPHX2CCR1
SCHEMBL10185571 0.83 RXFP1 (0.45) RXFP1
SCHEMBL10184497 0.82 CHRM4 (0.46) CHRM4EPHX2CCR1CYP2C9CYP2J2
SCHEMBL10186215 0.81 EPHX2 (0.49) CHRM4USP5EPHX2CCR1CYP2C9
SCHEMBL10184506 0.79 RXFP1 (0.42) RXFP1
SCHEMBL10186492 0.77 RXFP1 (0.44) RXFP1DRD2
SCHEMBL10185350 0.76 UTS2R (0.45) RXFP1

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 CHRM4 3934/4885USP5 3672/4885HDAC6 1314/4885

“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.