SCHEMBL9105680

SCHEMBL9105680

O=C(O)[C@@H]1CCCN1CC1CCOC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
CNR1 P21554 4/20 0.43
CNR2 P34972 3/20 0.43
ACE P12821 3/20 0.39
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM2 Q14416 1/20 0.35
GBA1 P04062 1/20 0.34
REN P00797 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
SCHEMBL9105684 1.00 HSD11B1 (0.49) HSD11B1CNR1CNR2ACEERCC5
SCHEMBL9106070 0.92 HSD11B1 (0.42) HSD11B1CNR1CNR2ACEFEN1
SCHEMBL9106082 0.92 HSD11B1 (0.42) HSD11B1CNR1CNR2ACEFEN1
SCHEMBL2569370 0.90 HSD11B1 (0.58) HSD11B1CNR1CNR2ACECYP1A2
SCHEMBL2569369 0.90 HSD11B1 (0.58) HSD11B1CNR1CNR2ACECYP1A2
SCHEMBL3710748 0.86 HSD11B1 (0.53) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL3710751 0.86 HSD11B1 (0.53) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL3713502 0.84 HSD11B1 (0.52) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL3713499 0.84 HSD11B1 (0.52) HSD11B1CNR1CNR2GRM2GBA1
SCHEMBL352376 0.81 GRM2 (0.44) HSD11B1CNR1CNR2ACECYP1A2

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
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 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 (2 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 3537/4885CNR1 2/4885CNR2 1/4885
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT HSD11B1 434/4885CNR1 1356/4885CNR2 598/4885

“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.