SCHEMBL10186249

SCHEMBL10186249

O=C(NCCNC(=O)N1CCC(c2ccc(Cl)cc2)CC1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.45
CHRM4 P08173 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 5/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2J2 P51589 1/20 0.40
USP5 P45974 1/20 0.40
NAMPT P43490 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10186245 0.88 CHRM4 (0.44) CCR1CHRM4EPHX2CYP2C9CYP2J2
SCHEMBL10185027 0.87 AR (0.43) KDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL10185645 0.86 CHRM4 (0.45) CCR1CHRM4EPHX2USP5
SCHEMBL10186215 0.86 EPHX2 (0.49) CCR1CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL10185212 0.86 PDE4A (0.47) ALDH1A1SMN1; SMN2USP5
SCHEMBL10186242 0.85 CHRM4 (0.45) CCR1CHRM4EPHX2CYP2C9CYP2J2
SCHEMBL10185639 0.83 USP5 (0.47) CCR1CHRM4EPHX2CYP2C9CYP2J2
SCHEMBL10186297 0.81 SMN1; SMN2 (0.49) CCR1CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL10184915 0.81 UTS2R (0.41) UTS2R
SCHEMBL10186426 0.80 UTS2R (0.49) EPHX2UTS2R

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 CCR1 4300/4885CHRM4 3934/4885KDM4E 3060/4885

“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.