SCHEMBL662164

SCHEMBL662164

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NR4A2 P43354 1/20 0.47
EGFR P00533 2/20 0.44
HPGD P15428 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL662165 1.00 MAOA (0.49) MAOAMAOBNR4A2EGFRHPGD
SCHEMBL10185612 0.88 NR4A2 (0.54) MAOAMAOBNR4A2TRPV1RAB9A
SCHEMBL10184959 0.87 EGFR (0.57) EGFRMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10184884 0.86 CHRM2 (0.54) HPGDMAPTPOLBRAB9ANPC1
SCHEMBL10184903 0.86 NPC1 (0.56) HPGDMAPTPOLBRAB9ANPC1
SCHEMBL10184814 0.86 NPC1 (0.56) HPGDMAPTPOLBRAB9ANPC1
SCHEMBL664131 0.86 KDM4E (0.53) HPGDMAPTPOLBRAB9ANPC1
SCHEMBL10186052 0.86 KDM4E (0.53) HPGDMAPTPOLBRAB9ANPC1
SCHEMBL664132 0.86 KDM4E (0.53) HPGDMAPTPOLBRAB9ANPC1
SCHEMBL10184971 0.86 SMN1; SMN2 (0.51) MAOAMAOBNR4A2EGFRMAPT

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 MAOA 1968/4885MAOB 2552/4885NR4A2 2671/4885

“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.