SCHEMBL9109810

SCHEMBL9109810

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1cc(C(C)(C)C)no1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.68
CNR1 P21554 4/20 0.62
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
USP30 Q70CQ3 1/20 0.57
NPC1 O15118 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL9109798 1.00 CNR2 (0.68) CNR2CNR1LMNANPSR1USP30
SCHEMBL16238263 0.97 CNR2 (0.67) CNR2CNR1LMNANPSR1USP30
SCHEMBL13257821 0.97 CNR2 (0.67) CNR2CNR1LMNANPSR1USP30
SCHEMBL9892869 0.94 CNR2 (0.59) CNR2CNR1LMNANPSR1USP30
SCHEMBL12479610 0.86 CNR2 (0.60) CNR2CNR1LMNANPSR1USP30
SCHEMBL12479613 0.86 CNR2 (0.60) CNR2CNR1LMNANPSR1USP30
SCHEMBL9105191 0.85 USP30 (0.55) CNR2CNR1LMNANPSR1USP30
SCHEMBL9105181 0.85 USP30 (0.55) CNR2CNR1LMNANPSR1USP30
SCHEMBL16238606 0.83 CNR2 (0.62) CNR2CNR1LMNANPSR1USP30
SCHEMBL13257788 0.83 CNR2 (0.62) CNR2CNR1LMNANPSR1USP30

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-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

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 CNR2 1/4885CNR1 2/4885LMNA 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.