SCHEMBL9106070

SCHEMBL9106070

O=C(O)[C@@H]1CCCN1CC1CCCOC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
FEN1 P39748 1/20 0.40
ACE P12821 4/20 0.39
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
GRM2 Q14416 1/20 0.37
CYP1A2 P05177 1/20 0.36
NR1H2 P55055 2/20 0.35
REN P00797 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGLL Q99685 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL9106082 1.00 HSD11B1 (0.42) HSD11B1FEN1ACECNR1CNR2
SCHEMBL9105680 0.92 HSD11B1 (0.49) HSD11B1FEN1ACECNR1CNR2
SCHEMBL9105684 0.92 HSD11B1 (0.49) HSD11B1FEN1ACECNR1CNR2
SCHEMBL2569370 0.83 HSD11B1 (0.58) HSD11B1ACECNR1CNR2GRM2
SCHEMBL2569369 0.83 HSD11B1 (0.58) HSD11B1ACECNR1CNR2GRM2
SCHEMBL9108708 0.80 GRM2 (0.53) HSD11B1ACECNR1CNR2GRM2
SCHEMBL9108702 0.80 GRM2 (0.53) HSD11B1ACECNR1CNR2GRM2
SCHEMBL352376 0.80 GRM2 (0.44) HSD11B1ACECNR1CNR2GRM2
SCHEMBL19815410 0.80 GRM2 (0.44) HSD11B1ACECNR1CNR2GRM2
SCHEMBL352377 0.80 GRM2 (0.44) HSD11B1ACECNR1CNR2GRM2

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 2 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

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 HSD11B1 3537/4885FEN1 4679/4885ACE 3990/4885

“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.