SCHEMBL9891861

SCHEMBL9891861

CC(C)(C)C1CCCN1CC1CCOC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
GBA1 P04062 1/20 0.35
HSD11B1 P28845 2/20 0.33
CYP11B2 P19099 1/20 0.30

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
SCHEMBL9891892 0.92 NR1H2 (0.34) CNR1CNR2
SCHEMBL9891852 0.90 GBA1 (0.43) CNR1CNR2GBA1HSD11B1
SCHEMBL16253011 0.85 CNR2 (0.44) CNR1CNR2GBA1HSD11B1
SCHEMBL9891854 0.81 CNR1 (0.36) CNR1CNR2GBA1
SCHEMBL9891495 0.80 GBA1 (0.45) CNR1CNR2GBA1HSD11B1
SCHEMBL16480492 0.78 KCNH2 (0.40) CNR1CNR2GBA1HSD11B1
SCHEMBL24927684 0.78 CHRM5 (0.42) CNR1CNR2GBA1
SCHEMBL9891888 0.78 CHRM5 (0.42) CNR1CNR2GBA1
SCHEMBL9891864 0.76 KCNH2 (0.33)
SCHEMBL16253048 0.75 CHRM5 (0.39) CNR1CNR2GBA1

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 3 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
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 CNR1 2/4885CNR2 1/4885GBA1 3004/4885

“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.