SCHEMBL16237604

SCHEMBL16237604

CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1nc2c(F)cccc2s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
CNR2 P34972 1/20 0.51
USP30 Q70CQ3 1/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPT P10636 2/20 0.43
SCN4A P35499 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL13257161 1.00 L3MBTL1 (0.61) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL9892842 0.93 NPC1 (0.61) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL13256797 0.89 CNR2 (0.65) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL16239198 0.89 CNR2 (0.65) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL31419716 0.88 L3MBTL1 (0.58) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL31419721 0.87 L3MBTL1 (0.61) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL3282254 0.86 L3MBTL1 (0.64) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL13256795 0.83 L3MBTL1 (0.70) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL16238448 0.83 L3MBTL1 (0.70) L3MBTL1NPC1RAB9ACNR2USP30
SCHEMBL13257162 0.83 L3MBTL1 (0.62) L3MBTL1NPC1RAB9ACNR2USP30

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 L3MBTL1 4308/4885NPC1 1779/4885RAB9A 2445/4885

“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.