SCHEMBL3706512

SCHEMBL3706512

O=C(O)C1COCCN1C(=O)C1CCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
FKBP1A P62942 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HSD11B1 P28845 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
IDH1 O75874 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM5 P41594 1/20 0.31
PIK3CD O00329 1/20 0.31
ACE P12821 2/20 0.31

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
SCHEMBL3434949 0.82 CNR2 (0.40) CNR2HSD11B1NR1H2NR1H3GRM5
SCHEMBL3434946 0.82 CNR2 (0.40) CNR2HSD11B1NR1H2NR1H3GRM5
SCHEMBL3703295 0.79 ACE (0.50) CNR2ACE
SCHEMBL3703294 0.79 ACE (0.50) CNR2ACE
SCHEMBL3713531 0.78 CNR2 (0.46) CNR2ACE
SCHEMBL3710570 0.78 CNR2 (0.46) CNR2ACE
SCHEMBL3710571 0.78 CNR2 (0.46) CNR2ACE
SCHEMBL16238793 0.75 ATM (0.38) CNR2HSD11B1NR1H2NR1H3GRM5
SCHEMBL3787525 0.73 CNR2 (0.34) CNR2HSD11B1NR1H2NR1H3TSHR
SCHEMBL3787520 0.73 CNR2 (0.34) CNR2HSD11B1NR1H2NR1H3TSHR

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-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885FKBP1A 598/4885CA12 4291/4885

“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.