SCHEMBL5000682

SCHEMBL5000682

CCOC(=O)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCN(CC(=O)N3CCC(C)(C)CC3)CC2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
YEATS4 O95619 1/20 0.40
KCNH2 Q12809 1/20 0.40
CTSS P25774 5/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD11B1 P28845 3/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
PLD2 O14939 5/20 0.39
PLD1 Q13393 5/20 0.39

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
SCHEMBL4436430 0.89 CTSS (0.44) YEATS4KCNH2CTSSHSD11B1HTR1A
SCHEMBL4437888 0.83 YEATS4 (0.42) YEATS4KCNH2CTSSHSD11B1HTR1A
SCHEMBL4440103 0.82 CTSS (0.42) YEATS4KCNH2CTSSHTR1AADRA2A
SCHEMBL4438903 0.81 YEATS4 (0.49) YEATS4KCNH2CHRM2CHRM4CHRM5
SCHEMBL4438587 0.80 YEATS4 (0.51) YEATS4KCNH2CHRM2CHRM4CHRM5
SCHEMBL4446685 0.79 CTSS (0.45) CTSSCHRM1HSD11B1HTR1AADRA2A
SCHEMBL4435287 0.77 YEATS4 (0.51) YEATS4KCNH2HSD11B1ALDH1A1HTR1A
SCHEMBL5000779 0.77 HTR1A (0.41) YEATS4KCNH2CTSSCHRM1ALDH1A1
SCHEMBL4446518 0.76 CTSS (0.44) YEATS4KCNH2CTSSHSD11B1ALDH1A1
SCHEMBL4434784 0.76 YEATS4 (0.68) YEATS4KCNH2ALDH1A1DRD2PLD2

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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US claimed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A HTT 4000/4885YEATS4 1467/4885KCNH2 4650/4885

“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.