SCHEMBL4440708

SCHEMBL4440708

COC1(C)CCN(C(=O)CN2CCC(n3c(=O)[nH]c4cc(C(=O)C(C)C)ccc43)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 12/20 0.49
PLD1 Q13393 12/20 0.49
YEATS4 O95619 2/20 0.47
KCNH2 Q12809 2/20 0.47
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
YEATS2 Q9ULM3 1/20 0.43
HSD11B1 P28845 4/20 0.42
OPRM1 P35372 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL4435435 0.91 YEATS4 (0.49) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4435708 0.91 PLD1 (0.52) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4444661 0.89 YEATS4 (0.49) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4439134 0.88 YEATS4 (0.53) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4438903 0.88 YEATS4 (0.49) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL5000703 0.83 PLD2 (0.51) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4435287 0.81 YEATS4 (0.51) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4437932 0.81 YEATS4 (0.52) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4438587 0.80 YEATS4 (0.51) PLD2PLD1YEATS4KCNH2MLLT3
SCHEMBL4439005 0.80 YEATS4 (0.51) PLD2PLD1YEATS4KCNH2MLLT3

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 6 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
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO 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 PLD2 917/4885PLD1 351/4885YEATS4 1467/4885

“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.