SCHEMBL17572003

SCHEMBL17572003

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.42
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
PRMT5 O14744 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.32
FKBP1A P62942 1/20 0.32
MTOR P42345 1/20 0.31

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
SCHEMBL17572807 1.00 PDK1 (0.42) PDK1PDK2PDK3SMN1; SMN2PRMT5
SCHEMBL15731644 1.00 PDK1 (0.42) PDK1PDK2PDK3SMN1; SMN2PRMT5
SCHEMBL18478127 0.85 PDK1 (0.57) PDK1PDK2PDK3SMN1; SMN2L3MBTL1
SCHEMBL15417830 0.85 PDK1 (0.57) PDK1PDK2PDK3SMN1; SMN2L3MBTL1
SCHEMBL17893278 0.85 PDK1 (0.42) PDK1PDK2PDK3PRMT5L3MBTL1
SCHEMBL29921251 0.84 PDK1 (0.41) PDK1PDK2PDK3PRMT5L3MBTL1
SCHEMBL13634209 0.84 PDK1 (0.41) PDK1PDK2PDK3PRMT5L3MBTL1
SCHEMBL14818969 0.84 PDK1 (0.40) PDK1PDK2PDK3SMN1; SMN2L3MBTL1
SCHEMBL21655140 0.82 PDK1 (0.47) PDK1PDK2PDK3SMN1; SMN2PRMT5
SCHEMBL23710011 0.81 PDK1 (0.38) PDK1PDK2PDK3SMN1; SMN2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426640-B1 PRMT5 INHIBITORS CTXT PTY LTD (AU) 2020-11-18 EP disclosed
EP-3426647-B1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LTD (AU) 2020-11-18 EP 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
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-05 US disclosed
WO-2017153518-A1 PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153515-A1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017024180-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-02-09 WO disclosed
WO-2016034675-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034671-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 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 (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-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 PDK1 1271/4885PDK2 2636/4885PDK3 2851/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 PDK1 1378/4885PDK2 2493/4885PDK3 2567/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 PDK1 1417/4885PDK2 2533/4885PDK3 2590/4885

“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.