SCHEMBL19090935

SCHEMBL19090935

CC(C)N1CC(NC[C@H](O)CO)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 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
SCHEMBL20980205 0.82 KDM4E (0.44) KDM4EHTTSMN1; SMN2HRH1HRH4
SCHEMBL20988052 0.82 KDM4E (0.36) KDM4EHTTSMN1; SMN2
SCHEMBL18756405 0.81 KDM4E (0.41) KDM4EHTTSMN1; SMN2HRH1HRH4
SCHEMBL22388072 0.80 HTT (0.31) HTT
SCHEMBL9005096 0.75
SCHEMBL10857129 0.73
SCHEMBL24536185 0.73
SCHEMBL20858033 0.71 HRH3 (0.38)
SCHEMBL16015488 0.70 ADRB1 (0.49) KDM4EHTTSMN1; SMN2HRH1HRH4
SCHEMBL6644034 0.70 KDM4E (0.75) KDM4EHTTSMN1; SMN2

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-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US 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 (2 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
US-10246478-B2 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.