SCHEMBL4981518

SCHEMBL4981518

COc1cc2nncc(-n3ncc4c(N5CCNCC5)cccc43)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.55
HTR3A P46098 3/20 0.43
HTR6 P50406 2/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
ADRB1 P08588 1/20 0.43
DRD2 P14416 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PDE10A Q9Y233 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PDGFRB P09619 1/20 0.42
HTR7 P34969 3/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4793421 0.92 NCF1 (0.49) NCF1HTR3AHTR6HTR3EHTR3B
SCHEMBL4979935 0.92 PDE10A (0.45) NCF1PDE10AMAPTPDGFRBKDM4E
SCHEMBL5653805 0.90 PDGFRB (0.44) NCF1DRD2DRD3PDE10APDGFRB
SCHEMBL4984909 0.89 PDE10A (0.50) NCF1PDE10APDGFRBSLC2A1SLC2A2
SCHEMBL4776351 0.84 EHMT2 (0.47) NCF1PDE10APDGFRBSLC2A1SLC2A2
SCHEMBL5655080 0.84 HTR1A (0.46) DRD2PDE10APDGFRBHTR7HTR1A
SCHEMBL2918903 0.83 NCF1 (0.64) NCF1HTR3AHTR6HTR3EHTR3B
SCHEMBL4778828 0.81 PDE10A (0.43) CYP2C19PDE10AMAPTPDGFRBKDM4E
SCHEMBL4792601 0.79 HTR1A (0.43) DRD2PDE10APDGFRBHTR7HTR1A
SCHEMBL5653371 0.77 PDE10A (0.47) CYP2C19PDE10AMAPTPDGFRBKDM4E

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
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B NCF1 1782/4885HTR3A 1087/4885HTR6 2399/4885

“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.