SCHEMBL16238549

SCHEMBL16238549

CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1cc(C(C)(C)C)ns1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.52
USP30 Q70CQ3 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.45
CNR2 P34972 10/20 0.45
CNR1 P21554 2/20 0.45
JAK2 O60674 1/20 0.43
SCN4A P35499 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16238548 1.00 LMNA (0.55) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL9892918 0.93 LMNA (0.50) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL13257821 0.79 CNR2 (0.67) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL16238263 0.79 CNR2 (0.67) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL16238371 0.79 CNR2 (0.56) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL16238373 0.79 CNR2 (0.56) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL16238476 0.77 LMNA (0.53) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL16238478 0.77 LMNA (0.53) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL9107269 0.77 L3MBTL1 (0.61) LMNANPSR1L3MBTL1NPC1USP30
SCHEMBL9107258 0.77 L3MBTL1 (0.61) LMNANPSR1L3MBTL1NPC1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4475/4885NPSR1 72/4885L3MBTL1 4308/4885

“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.