SCHEMBL4128738

SCHEMBL4128738

CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCC(O)C2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
KDM2B Q8NHM5 5/20 0.35
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AKR1C3 P42330 2/20 0.35
BCHE P06276 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4136522 0.90 USP30 (0.46) USP30KDM2BAKR1C3DRD3CYP11B2
SCHEMBL4141749 0.88 MLNR (0.37) KDM2BKDM4EALDH1A1NPSR1DRD2
SCHEMBL4130700 0.87 ALDH1A1 (0.39) KDM4EALDH1A1DRD2DRD3
SCHEMBL4136207 0.83 USP30 (0.42) USP30KDM2BKCNH2DRD3CYP1A2
SCHEMBL4141043 0.83 KDM2B (0.38) USP30KDM2BDRD2DRD3CYP1A2
SCHEMBL4139662 0.81 PNMT (0.35) KDM4EALDH1A1NPSR1DRD2DRD3
SCHEMBL4141084 0.81 JAK2 (0.42) KDM2BKCNH2HRH3KDM4EALDH1A1
SCHEMBL4128188 0.80 KCNH2 (0.39) KCNH2HRH3DRD2DRD3
SCHEMBL4136604 0.80 KDM2B (0.42) USP30KDM2BHRH3ALDH1A1DRD3
SCHEMBL4136716 0.80 HDAC4 (0.38) KDM4EALDH1A1NPSR1DRD2DRD3

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 USP30 3191/4885KDM2B 3965/4885KCNH2 657/4885

“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.