SCHEMBL6806895

SCHEMBL6806895

CCc1nn(C2CN(C(C)C)C2)c(C(N)=O)c1NC(=O)c1cc(S(C)(=O)=O)ccc1OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.38
PDE5A O76074 2/20 0.37
KCNH2 Q12809 2/20 0.36
TERT O14746 1/20 0.35
MAP3K5 Q99683 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
DHODH Q02127 1/20 0.32
PTGER1 P34995 7/20 0.32
LMNA P02545 2/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD2 P14416 1/20 0.32
TSHR P16473 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
STAT6 P42226 1/20 0.32
BLM P54132 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL6633712 0.81 SLC6A9 (0.37) SLC6A9KCNH2TERTIRAK4DHODH
SCHEMBL6806204 0.80 POLB (0.38) SLC6A9KCNH2TERTMAP3K5IRAK4
SCHEMBL6808158 0.79 SLC6A9 (0.35) SLC6A9KCNH2TERTMAP3K5IRAK4
SCHEMBL6810231 0.78 PDE5A (0.48) SLC6A9PDE5AKCNH2MAP3K5GPR119
SCHEMBL6807424 0.76 SLC6A9 (0.40) SLC6A9PDE5AKCNH2MAP3K5LMNA
SCHEMBL6629643 0.75 PDE5A (0.49) SLC6A9PDE5AKCNH2GPR119DHODH
SCHEMBL6629281 0.73 PDE5A (0.41) SLC6A9PDE5AKCNH2IRAK4DHODH
SCHEMBL6801848 0.72 TERT (0.37) SLC6A9PDE5AKCNH2TERTLMNA
SCHEMBL6805629 0.72 PDE5A (0.42) SLC6A9PDE5AKCNH2PTGER1LMNA
SCHEMBL6802097 0.71 PDE5A (0.36) SLC6A9PDE5AKCNH2MAP3K5IRAK4

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 SLC6A9 3970/4885PDE5A 1/4885KCNH2 1192/4885

“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.