SCHEMBL4550274

SCHEMBL4550274

CC(=O)N1CC(N2CCOCC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
CHRNB4 P30926 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNA7 P36544 1/20 0.37
DPP4 P27487 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL8150715 0.87 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL3L3MBTL1LMNAPIK3R1
SCHEMBL27979097 0.83 MEN1 (0.48) SMN1; SMN2L3MBTL3L3MBTL1CA12CA1
SCHEMBL8144136 0.82 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL3L3MBTL1LMNAKDM4E
SCHEMBL25629844 0.82 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL3L3MBTL1LMNAPIK3R1
SCHEMBL23361920 0.82 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL3L3MBTL1LMNAPIK3R1
SCHEMBL18711669 0.81 CHRNB2 (0.45) SMN1; SMN2L3MBTL3L3MBTL1CHRNB2CHRNA3
SCHEMBL18711803 0.80 CHRNB2 (0.41) SMN1; SMN2L3MBTL3L3MBTL1LMNACHRNB2
SCHEMBL24159209 0.80 L3MBTL3 (0.41) SMN1; SMN2L3MBTL3L3MBTL1LMNACA12
SCHEMBL20097549 0.79 CHRNB2 (0.44) SMN1; SMN2L3MBTL3L3MBTL1CHRNB2CHRNA3
SCHEMBL4546650 0.79 CHRNB2 (0.46) SMN1; SMN2L3MBTL3L3MBTL1LMNACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086993-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2022-04-28 WO disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (4 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885L3MBTL3 3433/4885L3MBTL1 3208/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 SMN1; SMN2 1036/4885L3MBTL3 2244/4885L3MBTL1 2036/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK SMN1; SMN2 4641/4885L3MBTL3 2800/4885L3MBTL1 2882/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD SMN1; SMN2 2248/4885L3MBTL3 4206/4885L3MBTL1 4127/4885

“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.