SCHEMBL9891826

SCHEMBL9891826

CC(C)(C)C1CC(F)(F)CN1C(=O)C1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
HSD11B1 P28845 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
TSHR P16473 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
SCHEMBL9891501 0.81 CNR2 (0.41) CNR2HSD11B1NR1H2NR1H3MAPT
SCHEMBL16253001 0.78 CNR2 (0.44) CNR2HSD11B1NR1H2NR1H3GAA
SCHEMBL28633671 0.77 DPP4 (0.33)
SCHEMBL9893108 0.77 HSD11B1 (0.36) CNR2HSD11B1NR1H2NR1H3MAPT
SCHEMBL9891830 0.77 PIK3CD (0.42) CNR2HSD11B1NR1H2NR1H3MAPT
SCHEMBL9891885 0.77 PIK3CD (0.42) CNR2HSD11B1NR1H2NR1H3MAPT
SCHEMBL9891869 0.75 CNR2 (0.38) CNR2HSD11B1NR1H2NR1H3MAPT
SCHEMBL3787520 0.75 CNR2 (0.34) CNR2HSD11B1NR1H2NR1H3MAPT
SCHEMBL3787525 0.75 CNR2 (0.34) CNR2HSD11B1NR1H2NR1H3MAPT
SCHEMBL12384278 0.72 CHRM2 (0.35) NR1H2EPHX2

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 CNR2 1/4885HSD11B1 3537/4885NR1H2 211/4885

“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.