SCHEMBL6806310

SCHEMBL6806310

CCCOc1ccc(S(=O)(=O)CC)cc1C(=O)Nc1c(CC)nn(C[C@@H]2CCCN2C(=O)O)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CA2 P00918 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
CA9 Q16790 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL6808144 0.92 DRD2 (0.35) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6801848 0.86 TERT (0.37) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6810660 0.80 PDE5A (0.43) PDE5ATERT
SCHEMBL6633712 0.78 SLC6A9 (0.37) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6801989 0.73 PDE5A (0.53) PDE5A
SCHEMBL6799966 0.72 POLB (0.38) DRD3HTR2BBLMLMNAPDE5A
SCHEMBL4741016 0.71 PDE5A (0.58) DRD2DRD3CA2DRD1DRD4
SCHEMBL1706222 0.71 TERT (0.49) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL8065352 0.70 PDE5A (0.52) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL8055436 0.70 PDE5A (0.56) DRD2DRD3CA2DRD1DRD4

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-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A DRD2 2544/4885DRD3 1873/4885ADRA2B 434/4885

“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.