SCHEMBL9103411

SCHEMBL9103411

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1nc2cc(Cl)ccc2n1CC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.45
CNR2 P34972 6/20 0.44
CNR1 P21554 4/20 0.44
USP30 Q70CQ3 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ITK Q08881 2/20 0.41
POLB P06746 2/20 0.40
UCHL1 P09936 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9892143 0.83 CNR2 (0.60) NPSR1CNR2CNR1KDM4E
SCHEMBL2579492 0.82 CNR2 (0.47) NPSR1CNR2CNR1ITKKDM4E
SCHEMBL16480410 0.80 CASP1 (0.48) L3MBTL1NPSR1CNR2CNR1POLB
SCHEMBL9891924 0.80 CNR2 (0.47) CNR2CNR1
SCHEMBL9893013 0.77 KDM4E (0.50) ALDH1A1LMNANPSR1CNR2CNR1
SCHEMBL9893088 0.77 PFKFB2 (0.46) NPSR1CNR2CNR1KDM4E
SCHEMBL9892389 0.75 CNR2 (0.48) NPSR1CNR2CNR1KDM4E
SCHEMBL9108946 0.73 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL9108960 0.73 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL16238648 0.73 L3MBTL1 (0.68) ALDH1A1L3MBTL1LMNANPSR1NPC1

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 ALDH1A1 3279/4885L3MBTL1 4514/4885LMNA 4696/4885

“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.