SCHEMBL5000543

SCHEMBL5000543

CC(=O)c1cc2[nH]c(=O)n(C3CCN(CC(=O)N4CCC5(CC4)CC5)CC3)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 9/20 0.42
OPRM1 P35372 5/20 0.42
PLD2 O14939 8/20 0.41
HSD11B1 P28845 2/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
KCNH2 Q12809 2/20 0.40
YEATS4 O95619 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
OPRL1 P41146 1/20 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
SCHEMBL4435781 0.94 PLD1 (0.42) PLD1OPRM1PLD2HSD11B1CHRM2
SCHEMBL4446718 0.92 OPRM1 (0.42) PLD1OPRM1PLD2HSD11B1CHRM2
SCHEMBL5004016 0.90 CHRM2 (0.41) PLD1OPRM1PLD2HSD11B1CHRM2
SCHEMBL4435740 0.90 PLD1 (0.43) PLD1OPRM1PLD2KCNH2YEATS4
SCHEMBL4440024 0.89 CHRM1 (0.43) PLD1OPRM1PLD2HSD11B1CHRM2
SCHEMBL4445833 0.87 YEATS4 (0.44) PLD1OPRM1PLD2HSD11B1KCNH2
SCHEMBL4437945 0.86 OPRM1 (0.42) PLD1OPRM1PLD2HSD11B1CHRM2
SCHEMBL5000561 0.85 PLD2 (0.42) PLD1OPRM1PLD2HSD11B1CHRM2
SCHEMBL5004161 0.85 OPRM1 (0.41) PLD1OPRM1PLD2HSD11B1CHRM2
SCHEMBL4437415 0.84 PLD2 (0.44) PLD1OPRM1PLD2CHRM2CHRM4

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 PLD1 351/4885OPRM1 4069/4885PLD2 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.