SCHEMBL18756405

SCHEMBL18756405

CN1CC(NC[C@H](O)CO)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SLC6A2 P23975 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTPN11 Q06124 2/20 0.30

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
SCHEMBL16015488 0.81 ADRB1 (0.49) KDM4EHTTSMN1; SMN2ADRB2ADRB1
SCHEMBL19090935 0.81 KDM4E (0.38) KDM4EHTTSMN1; SMN2HRH1HRH4
SCHEMBL20988052 0.78 KDM4E (0.36) KDM4EHTTSMN1; SMN2
SCHEMBL19476979 0.76 HTT (0.31) HTTADRB2ADRB1ADRB3
SCHEMBL10857129 0.76
SCHEMBL6644034 0.72 KDM4E (0.75) KDM4EHTTSMN1; SMN2ADRB2ALDH1A1
SCHEMBL16822348 0.71 KDM4E (0.79) KDM4EHTTSMN1; SMN2ADRB2ADRB1
SCHEMBL3535515 0.71 KDM4E (0.79) KDM4EHTTSMN1; SMN2ADRB2ADRB1
SCHEMBL22280550 0.71 SMN1; SMN2 (0.47) KDM4EHTTSMN1; SMN2ADRB2ADRB1
SCHEMBL20980205 0.71 KDM4E (0.44) KDM4EHTTSMN1; SMN2ADRB2ADRB1

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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 KDM4E 1641/4885HTT 1050/4885SMN1; SMN2 4749/4885

“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.