SCHEMBL4446718

SCHEMBL4446718

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.42
HSD11B1 P28845 1/20 0.41
PLD1 Q13393 9/20 0.41
PLD2 O14939 8/20 0.41
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
KCNH2 Q12809 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 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
SCHEMBL5000543 0.92 PLD1 (0.42) OPRM1HSD11B1PLD1PLD2CHRM2
SCHEMBL4435740 0.89 PLD1 (0.43) OPRM1PLD1PLD2KCNH2
SCHEMBL4440024 0.88 CHRM1 (0.43) OPRM1HSD11B1PLD1PLD2CHRM2
SCHEMBL4444801 0.86 OPRM1 (0.42) OPRM1HSD11B1PLD1PLD2CHRM2
SCHEMBL4445833 0.86 YEATS4 (0.44) OPRM1HSD11B1PLD1PLD2KCNH2
SCHEMBL4435781 0.85 PLD1 (0.42) OPRM1HSD11B1PLD1PLD2CHRM2
SCHEMBL5004161 0.84 OPRM1 (0.41) OPRM1HSD11B1PLD1PLD2CHRM2
SCHEMBL5000561 0.84 PLD2 (0.42) OPRM1HSD11B1PLD1PLD2CHRM2
SCHEMBL4437415 0.83 PLD2 (0.44) OPRM1PLD1PLD2CHRM2CHRM4
SCHEMBL4439005 0.83 YEATS4 (0.51) HSD11B1PLD1PLD2CHRM1KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP claimed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US claimed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO 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 OPRM1 4069/4885HSD11B1 201/4885PLD1 351/4885

“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.