SCHEMBL3787520

SCHEMBL3787520

O=C(O)[C@@H]1CC(F)(F)CN1C(=O)C1CCC(F)(F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK5 Q16478 1/20 0.34
HSD11B1 P28845 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
GRM4 Q14833 2/20 0.32
GRM5 P41594 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL3787525 1.00 CNR2 (0.34) CNR2GRIK1GRIK2GRIK3GRIK5
SCHEMBL3434949 0.80 CNR2 (0.40) CNR2HSD11B1NR1H2NR1H3GRM5
SCHEMBL3434946 0.80 CNR2 (0.40) CNR2HSD11B1NR1H2NR1H3GRM5
SCHEMBL3703294 0.77 ACE (0.50) CNR2ALOX15LMNAMAPTACE
SCHEMBL3703295 0.77 ACE (0.50) CNR2ALOX15LMNAMAPTACE
SCHEMBL6919995 0.77 GRM2 (0.36) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL3512916 0.77 GRM2 (0.36) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL4254372 0.77 GRM2 (0.36) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL3713531 0.76 CNR2 (0.46) CNR2ACE
SCHEMBL3710570 0.76 CNR2 (0.46) CNR2ACE

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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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 1/4885GRIK1 610/4885GRIK2 488/4885

“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.