SCHEMBL16239057

SCHEMBL16239057

O=C(O)[C@@H]1CCCCN1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
CNR1 P21554 3/20 0.45
CNR2 P34972 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD11B1 P28845 1/20 0.40
SLC6A1 P30531 1/20 0.39
CYP1A2 P05177 1/20 0.38
ACE P12821 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL3712881 1.00 GRM2 (0.46) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL352377 0.94 GRM2 (0.44) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL352376 0.94 GRM2 (0.44) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL19815410 0.94 GRM2 (0.44) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL9108708 0.91 GRM2 (0.53) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL9108702 0.91 GRM2 (0.53) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL3710751 0.88 HSD11B1 (0.53) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL3710748 0.88 HSD11B1 (0.53) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL3713502 0.87 HSD11B1 (0.52) GRM2CNR1CNR2SMN1; SMN2HSD11B1
SCHEMBL3713499 0.87 HSD11B1 (0.52) GRM2CNR1CNR2SMN1; SMN2HSD11B1

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 claimed
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
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GRM2 495/4885CNR1 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.