SCHEMBL607973

SCHEMBL607973

Cc1cccc(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CO)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
P2RX7 Q99572 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
GRM5 P41594 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE2A O00408 1/20 0.36
CSF1R P07333 1/20 0.36
SCN9A Q15858 2/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35
MEN1 O00255 1/20 0.35
SORT1 Q99523 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL607942 0.78 CNR2 (0.39) PDE10AP2RX7CNR2MAPTRAB9A
SCHEMBL7874147 0.78 PDE10A (0.37) PDE10AP2RX7CNR2MAPTRAB9A
SCHEMBL607019 0.78 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL607935 0.78 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL609561 0.76 HCRTR2 (0.63) HCRTR1HCRTR2
SCHEMBL608184 0.76 SCN9A (0.47) HCRTR1HCRTR2SCN9A
SCHEMBL3385637 0.75 CYP3A4 (0.50) HCRTR1HCRTR2
SCHEMBL10121575 0.75 HCRTR2 (0.53) HCRTR1HCRTR2
SCHEMBL608692 0.75 HCRTR2 (0.53) HCRTR1HCRTR2
SCHEMBL10121619 0.75 HCRTR2 (0.53) HCRTR1HCRTR2

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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R PDE10A 1987/4885P2RX7 524/4885CNR2 97/4885

“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.