SCHEMBL9892092

SCHEMBL9892092

CCCN1CCC[C@H]1C(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.58
LMNA P02545 2/20 0.50
KCNK3 O14649 1/20 0.50
CFD P00746 1/20 0.49
CNR2 P34972 4/20 0.47
NR1I2 O75469 1/20 0.47
CNR1 P21554 3/20 0.46
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 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
SCHEMBL2573574 0.83 CNR2 (0.64) ATAD2LMNACFDCNR2CNR1
SCHEMBL13284933 0.83 CNR2 (0.64) ATAD2LMNACFDCNR2CNR1
SCHEMBL13256783 0.80 CNR2 (0.65) ATAD2CFDCNR2CNR1FPR3
SCHEMBL9892173 0.77 CNR2 (0.60) LMNAKCNK3CNR2NR1I2CNR1
SCHEMBL9107269 0.77 L3MBTL1 (0.61) ATAD2LMNACFDCNR2NPC1
SCHEMBL9107258 0.77 L3MBTL1 (0.61) ATAD2LMNACFDCNR2NPC1
SCHEMBL9892093 0.76 CNR2 (0.72) ATAD2CFDCNR2CNR1NPC1
SCHEMBL9893102 0.75 CNR2 (0.60) ATAD2LMNACFDCNR2CNR1
SCHEMBL16771556 0.74 ATAD2 (1.00) ATAD2LMNACNR2NPC1RAB9A
SCHEMBL78747 0.74 ATAD2 (0.94) ATAD2LMNACNR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ATAD2 2417/4885LMNA 4696/4885KCNK3 1500/4885

“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.