SCHEMBL4299935

SCHEMBL4299935

O=CN1CCC(c2nccs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
AOC3 Q16853 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RBP4 P02753 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SPR P35270 2/20 0.34
HSD17B10 Q99714 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
ATR Q13535 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
Formic Acid SCHEMBL28211550 0.79 DRD4 (0.39) DRD4AOC3L3MBTL1HSD17B10NOS3
SCHEMBL498175 0.78
SCHEMBL12539252 0.77 DRD4 (0.43) DRD4AOC3SPRNOS3NOS2
SCHEMBL15025455 0.77 DRD4 (0.41) DRD4AOC3RBP4L3MBTL1SPR
SCHEMBL4562941 0.75 DRD4 (0.46) DRD4AOC3RBP4SPRHSD17B10
SCHEMBL20738510 0.74 DRD4 (0.47) DRD4AOC3CNR1CNR2RBP4
SCHEMBL577126 0.74
SCHEMBL497630 0.74 TSHR (0.38) DRD4AOC3HSD17B10NOS3NOS2
SCHEMBL3654356 0.73 DRD4 (0.41) DRD4AOC3RBP4SPRNOS3
SCHEMBL13407392 0.73 DRD4 (0.49) DRD4AOC3SPRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2009-12-10 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-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB DRD4 1791/4885AOC3 166/4885CNR1 1101/4885

“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.