SCHEMBL13729593

SCHEMBL13729593

Cc1nn(C)c(C)c1-c1ccc(C(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
BRD4 O60885 5/20 0.38
HTR1A P08908 1/20 0.38
EP300 Q09472 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CREBBP Q92793 1/20 0.35
DHODH Q02127 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 1/20 0.35
MAP4K1 Q92918 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PDPK1 O15530 1/20 0.33
MAPK1 P28482 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
MERTK Q12866 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
SCHEMBL26818537 0.80 HTR7 (0.43) HTR7BRD4HTR1AEP300PRMT5
SCHEMBL30231192 0.78 MAPT (0.44) HTR7BRD4HTR1APRMT5WDR77
SCHEMBL4021817 0.78 MAPT (0.44) HTR7BRD4HTR1APRMT5WDR77
SCHEMBL10176300 0.77 HTR7 (0.43) HTR7BRD4HTR1AEP300KDM5B
SCHEMBL26828219 0.76 DRD1 (0.33)
SCHEMBL13575373 0.75 PDE2A (0.49) HTR7PDE10A
SCHEMBL20437889 0.73 CYP11B2 (0.50) BRD4EP300PRMT5WDR77CREBBP
SCHEMBL888893 0.73 CHRNA7 (0.36) MAPT
SCHEMBL12944870 0.72 MAPT (0.47) HTR7BRD4HTR1APRMT5WDR77
SCHEMBL4566614 0.71 PDPK1 (0.44) HTR7BRD4HTR1APRMT5WDR77

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R HTR7 308/4885BRD4 168/4885HTR1A 188/4885

“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.