SCHEMBL6633712

SCHEMBL6633712

CCc1nn(C[C@@H]2CCCN2C)c(C(N)=O)c1NC(=O)c1cc(S(C)(=O)=O)ccc1OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
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
MAPT P10636 2/20 0.36
ADRA1A P35348 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
PTGS1 P23219 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
BLM P54132 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
SCHEMBL6801848 0.91 TERT (0.37) SLC6A9DRD2DRD3CA2DRD1
SCHEMBL6629281 0.88 PDE5A (0.41) SLC6A9DRD2DRD3CA2DRD1
SCHEMBL6806895 0.81 SLC6A9 (0.38) SLC6A9DRD2DRD3CYP2D6ADRA2A
SCHEMBL6808158 0.81 SLC6A9 (0.35) SLC6A9BLMLMNAKCNH2TERT
SCHEMBL6806204 0.80 POLB (0.38) SLC6A9KCNH2TERTIRAK4
SCHEMBL6808144 0.79 DRD2 (0.35) DRD2DRD3CA2DRD1DRD4
SCHEMBL6806310 0.78 DRD2 (0.41) DRD2DRD3CA2DRD1DRD4
SCHEMBL6810660 0.76 PDE5A (0.43) TERTKDM4E
SCHEMBL6805629 0.74 PDE5A (0.42) SLC6A9MAPTLMNATSHRKCNH2
SCHEMBL6807424 0.73 SLC6A9 (0.40) SLC6A9DRD2DRD3CYP2D6MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
EP-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 EP disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US disclosed
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SLC6A9 3970/4885DRD2 2544/4885DRD3 1873/4885

“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.