SCHEMBL3713499

SCHEMBL3713499

O=C(O)[C@@H]1CCCCCN1CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
CNR1 P21554 6/20 0.50
CNR2 P34972 6/20 0.50
GRM2 Q14416 1/20 0.43
GBA1 P04062 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL3713502 1.00 HSD11B1 (0.52) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL3710748 0.98 HSD11B1 (0.53) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL3710751 0.98 HSD11B1 (0.53) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL2569370 0.94 HSD11B1 (0.58) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL2569369 0.94 HSD11B1 (0.58) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL3427328 0.87 GBA1 (0.47) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL3427330 0.87 GBA1 (0.47) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL16239057 0.87 GRM2 (0.46) HSD11B1CNR1CNR2GRM2SMN1; SMN2
SCHEMBL3712881 0.87 GRM2 (0.46) HSD11B1CNR1CNR2GRM2SMN1; SMN2
SCHEMBL9108702 0.85 GRM2 (0.53) HSD11B1CNR1CNR2GRM2SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
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 HSD11B1 1987/4885CNR1 2/4885CNR2 1/4885

“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.