SCHEMBL660926

SCHEMBL660926

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)c3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 2/20 0.43
NPC1 O15118 1/20 0.41
CHRM1 P11229 1/20 0.41
DGAT1 O75907 1/20 0.41
F10 P00742 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL660927 1.00 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1HRH3MEN1
SCHEMBL10186100 0.92 NPC1 (0.46) SMN1; SMN2ALDH1A1HRH3KMT2ANPC1
SCHEMBL10184946 0.92 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL10185009 0.91 KDM4E (0.51) SMN1; SMN2KDM4EALDH1A1HRH3MEN1
SCHEMBL10186387 0.90 CHRM1 (0.45) SMN1; SMN2KDM4EALDH1A1HRH3MEN1
SCHEMBL10184940 0.89 EPHX2 (0.48) HRH3CHRM1DGAT1POLB
SCHEMBL10185026 0.89 HRH3 (0.44) SMN1; SMN2KDM4EALDH1A1HRH3MEN1
SCHEMBL10184280 0.88 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL10184812 0.88 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1HRH3MEN1
SCHEMBL10184889 0.88 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1HRH3MEN1

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 SMN1; SMN2 4464/4885KDM4E 3060/4885ALDH1A1 963/4885

“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.