SCHEMBL7587067

SCHEMBL7587067

COC(=O)C1CCCN1CC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
LTA4H P09960 2/20 0.41
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
PEPD P12955 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 4/20 0.38
FKBP1A P62942 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 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
SCHEMBL30969014 1.00 GBA1 (0.42) GBA1LTA4HCNR1CNR2HSD11B1
SCHEMBL29264319 0.96 FKBP1A (0.42) GBA1LTA4HCNR1CNR2HSD11B1
SCHEMBL7585001 0.96 FKBP1A (0.42) GBA1LTA4HCNR1CNR2HSD11B1
SCHEMBL15211792 0.82 LTA4H (0.44) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL29264338 0.81 LTA4H (0.43) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL29264336 0.81 LTA4H (0.43) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL22878526 0.79 GBA1 (0.39) GBA1CNR1CNR2HSD11B1KDM4E
SCHEMBL15212209 0.78 CNR1 (0.43) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL15211535 0.77 LTA4H (0.42) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL7581179 0.76 EPHX1 (0.46) CNR1CNR2ALDH1A1KDM4E

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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
EP-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 GBA1 1516/4885LTA4H 1503/4885CNR1 540/4885

“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.