SCHEMBL13626332

SCHEMBL13626332

CCN1CCc2ccc(-c3ccccc3)cc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.54
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
GRM5 P41594 2/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 1/20 0.43
TYRO3 Q06418 1/20 0.43
NTRK2 Q16620 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
P2RX3 P56373 1/20 0.41
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL6109465 0.84 GRM5 (0.56) HRH3PRMT5WDR77GRM5TYRO3
SCHEMBL4316951 0.81 OPRD1 (0.53) HRH3GRM5OPRD1TYRO3NTRK2
SCHEMBL179076 0.80 HTT (0.51) DRD2DRD4DRD3GRM5HTT
SCHEMBL29438739 0.80 HTT (0.51) DRD2DRD4DRD3GRM5HTT
SCHEMBL6111001 0.79 HRH3 (0.48) HRH3PRMT5WDR77DRD2DRD4
SCHEMBL8159331 0.78 HRH3 (0.73) HRH3DRD2DRD4DRD3GRM5
SCHEMBL6111123 0.77 DRD3 (0.50) HRH3PRMT5WDR77DRD2DRD4
SCHEMBL13611935 0.77 TYRO3 (0.43) HRH3PRMT5WDR77HTTOPRD1
SCHEMBL13626337 0.77 HTT (0.62) HRH3DRD2DRD4DRD3GRM5
SCHEMBL10244016 0.76 HRH3 (0.70) HRH3DRD2DRD4DRD3GRM5

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR HRH3 2945/4885PRMT5 3845/4885WDR77 375/4885

“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.