SCHEMBL326836

SCHEMBL326836

CCOC(=O)C1CCN(c2ccc(C(C)=O)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.62
HRH3 Q9Y5N1 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
RET P07949 1/20 0.51
DGAT1 O75907 3/20 0.49
GAA P10253 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL10174320 0.86 USP30 (0.57) USP30HRH3L3MBTL1RETDGAT1
SCHEMBL32678039 0.85 USP30 (0.56) USP30L3MBTL1RETDGAT1GAA
SCHEMBL32678038 0.85 USP30 (0.56) USP30L3MBTL1RETDGAT1GAA
SCHEMBL16648632 0.84 KMT2A (0.58) USP30L3MBTL1RETDGAT1KMT2A
SCHEMBL27404757 0.84 USP30 (0.55) USP30RETDGAT1KMT2APOLB
SCHEMBL326931 0.84 L3MBTL1 (0.58) USP30HRH3L3MBTL1RETDGAT1
SCHEMBL595334 0.84 SHMT2 (0.59) USP30L3MBTL1RETDGAT1KMT2A
SCHEMBL16648856 0.84 L3MBTL1 (0.57) USP30L3MBTL1RETKMT2AMAPT
SCHEMBL30890320 0.84 USP30 (0.55) USP30RETDGAT1KMT2APOLB
SCHEMBL374689 0.84 USP30 (0.55) USP30L3MBTL1RETDGAT1GAA

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
EP-2590963-B1 (3-METHYLPYRROLIDIN-3-YL)METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-12-03 EP disclosed
US-8507535-B2 Methyl-pyrrolidine ether derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-13 US disclosed
EP-2590963-A1 (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
WO-2012004207-A1 (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010212-A1 METHYL-PYRROLIDINE ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-12 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-20120010212-A1 METHYL-PYRROLIDINE ETHER DERIVATIVES OPRM1, OPRK1, OPRD1 USP30 4373/4885HRH3 1070/4885L3MBTL1 3427/4885

“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.