SCHEMBL4440513

SCHEMBL4440513

CNC(=O)c1ccc2c(c1)CC(=O)N2C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 10/20 0.47
PLD1 Q13393 1/20 0.40
HSD11B1 P28845 1/20 0.40
CTSC P53634 1/20 0.40
HTR7 P34969 1/20 0.39
BRD4 O60885 1/20 0.38
CRBN Q96SW2 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL4446012 0.84 SMYD3 (0.41) SMYD3PLD1HSD11B1CTSCOPRL1
SCHEMBL14008528 0.82 SMYD3 (0.37) SMYD3PLD1HSD11B1CTSCHTR7
SCHEMBL4434665 0.79 CTSC (0.39) SMYD3PLD1CTSCOPRL1
SCHEMBL4440637 0.77 OPRL1 (0.44) SMYD3PLD1HSD11B1HTR7OPRL1
SCHEMBL4434765 0.76 PLD1 (0.44) SMYD3PLD1HSD11B1HTR7OPRL1
SCHEMBL4444403 0.76 PLD1 (0.48) SMYD3PLD1HSD11B1HTR7OPRL1
SCHEMBL4716706 0.76 NOTUM (0.56) CTSCOPRL1
SCHEMBL10063156 0.76 OPRM1 (0.40) CTSCOPRL1
SCHEMBL4446730 0.75 PLD1 (0.43) SMYD3PLD1HSD11B1HTR7OPRL1
SCHEMBL4437955 0.75 HDAC1 (0.48) PLD1HSD11B1OPRL1

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 disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US 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
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 SMYD3 3617/4885PLD1 351/4885HSD11B1 201/4885

“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.