SCHEMBL809534

SCHEMBL809534

CC[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.57
ACE2 Q9BYF1 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
CTRB1 P17538 1/20 0.52
GFER P55789 1/20 0.52

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
SCHEMBL13198885 0.96 NPC1 (0.60) PREPACE2L3MBTL1TSHRKDM4E
SCHEMBL14646609 0.96 NPC1 (0.60) PREPACE2L3MBTL1TSHRKDM4E
SCHEMBL21538530 0.92 SMN1; SMN2 (0.55) PREPL3MBTL1TSHRNPC1RAB9A
SCHEMBL1873676 0.90 PREP (0.53) PREPACE2L3MBTL1TSHRKDM4E
SCHEMBL5786248 0.90 PREP (0.53) PREPACE2L3MBTL1TSHRKDM4E
SCHEMBL16983239 0.90 PREP (0.55) PREPACE2L3MBTL1TSHRKDM4E
SCHEMBL31388214 0.88 PREP (0.56) PREPACE2L3MBTL1TSHRKDM4E
SCHEMBL5267939 0.88 SPHK2 (0.58) PREPACE2L3MBTL1TSHRNPC1
SCHEMBL4602602 0.88 SPHK2 (0.58) PREPACE2L3MBTL1TSHRNPC1
SCHEMBL809494 0.88 SPHK2 (0.58) PREPACE2L3MBTL1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263822-A1 SELECTIVE BTK IRREVERSIBLE INHIBITORS SAN DIEGO STATE UNIVERSITY FOUNDATION (US) 2020-12-30 WO disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
WO-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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 (2 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 PREP 4006/4885ACE2 1756/4885L3MBTL1 3514/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 PREP 2975/4885ACE2 2907/4885L3MBTL1 3017/4885

“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.