SCHEMBL19480263

SCHEMBL19480263

CC[C@@H]1COCCN1C(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.39
PRMT5 O14744 3/20 0.39
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
FKBP1A P62942 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
PIK3CD O00329 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19419453 1.00 PDK1 (0.39) PDK1PRMT5PDK2PDK3CYP3A4
SCHEMBL15730404 0.85 PDK1 (0.37) PDK1PDK2PDK3CYP3A4CYP2C19
SCHEMBL21429863 0.83 PDK1 (0.36) PDK1PRMT5PDK2PDK3CYP3A4
SCHEMBL21429870 0.83 PDK1 (0.36) PDK1PRMT5PDK2PDK3CYP3A4
SCHEMBL21430674 0.83 PDK1 (0.36) PDK1PRMT5PDK2PDK3CYP3A4
SCHEMBL23710050 0.83 PDK1 (0.36) PDK1PRMT5PDK2PDK3CYP3A4
SCHEMBL23710014 0.83 PDK1 (0.36) PDK1PRMT5PDK2PDK3CYP3A4
SCHEMBL21430683 0.82 PDK1 (0.36) PDK1PRMT5PDK2PDK3FKBP1A
SCHEMBL17572807 0.81 PDK1 (0.42) PDK1PRMT5PDK2PDK3FKBP1A
SCHEMBL17572003 0.81 PDK1 (0.42) PDK1PRMT5PDK2PDK3FKBP1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 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 (3 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 PDK1 1348/4885PRMT5 1/4885PDK2 2669/4885
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 PDK1 1271/4885PRMT5 1/4885PDK2 2636/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 PDK1 1378/4885PRMT5 1/4885PDK2 2493/4885

“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.