SCHEMBL5000587

SCHEMBL5000587

Cc1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCN(CC(=O)c3ccc(Cl)cc3)CC2)no1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.55
PLD1 Q13393 11/20 0.53
PLD2 O14939 10/20 0.53
DRD2 P14416 3/20 0.52
HTR1A P08908 2/20 0.52
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
DRD3 P35462 2/20 0.52
ADRA2A P08913 1/20 0.52
YEATS4 O95619 1/20 0.49
MLLT3 P42568 1/20 0.49
MLLT1 Q03111 1/20 0.49
KCNH2 Q12809 1/20 0.49
YEATS2 Q9ULM3 1/20 0.49
DRD4 P21917 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL4436328 0.86 PLD1 (0.51) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL5000724 0.85 YEATS4 (0.64) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL4437897 0.84 DRD2 (0.69) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL4446685 0.83 CTSS (0.45) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL4446518 0.82 CTSS (0.44) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL4436430 0.82 CTSS (0.44) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL4446666 0.81 PLD2 (0.51) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL4434564 0.81 PLD1 (0.51) CTSSPLD1PLD2DRD2HTR1A
SCHEMBL4438930 0.80 PLD1 (0.72) PLD1PLD2DRD2HTR1AHTR2A
SCHEMBL4435841 0.80 PLD1 (0.72) PLD1PLD2DRD2HTR1AHTR2A

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 CTSS 667/4885PLD1 351/4885PLD2 917/4885

“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.