SCHEMBL4882689

SCHEMBL4882689

CCc1cc(OC(CC)CC)cnc1CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.33
GCK P35557 1/20 0.32
LIMK1 P53667 1/20 0.31
LIMK2 P53671 1/20 0.31
PDE10A Q9Y233 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL21736849 0.78 NQO1 (0.39) PDE10ANOS3NOS1NOS2
SCHEMBL4881240 0.69 GCK (0.34) CRHR1GCKPDE10A
SCHEMBL23026291 0.68
SCHEMBL21737207 0.68 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL27587474 0.68 CRHR1 (0.35) CRHR1
SCHEMBL4882706 0.68 CHRNB2 (0.41)
SCHEMBL7115171 0.67 PARP1 (0.37) PDE10ANOS3NOS1NOS2
SCHEMBL20321338 0.67 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL24950445 0.67 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL21736847 0.67 PDE10A (0.40) PDE10A

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-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885GCK 596/4885LIMK1 4422/4885

“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.