SCHEMBL10185639

SCHEMBL10185639

O=C(NCCNC(=O)N1CCC(c2ccc(Cl)cc2)CC1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
EPHX2 P34913 12/20 0.44
CHRM4 P08173 4/20 0.44
HRH3 Q9Y5N1 1/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2J2 P51589 3/20 0.42
CCR1 P32246 1/20 0.38

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
SCHEMBL10184497 0.90 CHRM4 (0.46) EPHX2CHRM4CYP2C9CYP2J2CCR1
SCHEMBL10186242 0.90 CHRM4 (0.45) USP5HDAC6EPHX2CHRM4CYP2C9
SCHEMBL10186245 0.88 CHRM4 (0.44) USP5HDAC6EPHX2CHRM4CYP2C9
SCHEMBL10185645 0.86 CHRM4 (0.45) USP5HDAC6EPHX2CHRM4CCR1
SCHEMBL10186215 0.86 EPHX2 (0.49) USP5EPHX2CHRM4CYP2C9CYP2J2
SCHEMBL10185026 0.84 HRH3 (0.44) CHRM4HRH3
SCHEMBL10186249 0.83 CCR1 (0.45) USP5EPHX2CHRM4CYP2C9CYP2J2
SCHEMBL10186184 0.83 ALDH1A1 (0.44) HRH3
SCHEMBL10185393 0.82 HRH3 (0.42) USP5HDAC6HRH3
SCHEMBL10186297 0.81 SMN1; SMN2 (0.49) USP5EPHX2CHRM4HRH3CCR1

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 USP5 3672/4885HDAC6 1314/4885EPHX2 1718/4885

“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.