SCHEMBL13618260

SCHEMBL13618260

CCOC(=O)[C@H]1CC[C@@H](N2CCC(OCC)(OCC)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
CHRM1 P11229 1/20 0.37
LMNA P02545 3/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27814939 1.00 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL13618165 0.92 MAPT (0.46) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL1134512 0.92 MAPT (0.46) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL1134513 0.92 MAPT (0.46) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL1134341 0.86 LMNA (0.35) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL29284204 0.76 MAPT (0.51) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL1700730 0.76 MAPT (0.47) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL1134510 0.74 POLB (0.30) POLB
SCHEMBL3882849 0.73 MEN1 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL9831080 0.73 ALDH1A1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19MAPT

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-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 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 (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-20090275574-A1 NOVEL COMPOUNDS-300 CACNA1A, SCN10A, OPRM1 CYP3A4 598/4885CYP2D6 436/4885CYP2C9 685/4885

“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.