SCHEMBL663549

SCHEMBL663549

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)N3CCC(c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
CHRM5 P08912 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.46
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 2/20 0.45
CHRM1 P11229 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.44
CHRM4 P08173 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL663550 1.00 KDM4E (0.49) KDM4EPOLBCHRM5CHRM2CHRM3
SCHEMBL10186409 0.90 LMNA (0.49) KDM4EMAPTLMNAOPRM1OPRD1
SCHEMBL664557 0.87 ALDH1A1 (0.46) KDM4EPOLBCHRM5CHRM2CHRM3
SCHEMBL10184954 0.86 POLB (0.48) KDM4EPOLBMAPTLMNAALDH1A1
SCHEMBL10186052 0.86 KDM4E (0.53) KDM4EPOLBCHRM5CHRM2CHRM3
SCHEMBL664131 0.86 KDM4E (0.53) KDM4EPOLBCHRM5CHRM2CHRM3
SCHEMBL664132 0.86 KDM4E (0.53) KDM4EPOLBCHRM5CHRM2CHRM3
SCHEMBL10184546 0.84 LMNA (0.48) KDM4ELMNAOPRM1OPRD1ALDH1A1
SCHEMBL10185699 0.84 LMNA (0.48) KDM4ELMNAOPRM1OPRD1ALDH1A1
SCHEMBL10185181 0.84 LMNA (0.48) KDM4ELMNAOPRM1OPRD1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
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 KDM4E 3060/4885POLB 3114/4885CHRM5 3681/4885

“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.