SCHEMBL4444403

SCHEMBL4444403

CNC(=O)c1ccc2c(c1)CC(=O)N2C1CCN(CC(O)C2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.48
OPRL1 P41146 8/20 0.45
OPRM1 P35372 7/20 0.45
OPRK1 P41145 6/20 0.45
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SMYD3 Q9H7B4 3/20 0.42
HSD11B1 P28845 1/20 0.40
CCR5 P51681 1/20 0.39
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 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
SCHEMBL4440637 0.84 OPRL1 (0.44) PLD1OPRL1OPRM1OPRK1SMYD3
SCHEMBL4443247 0.80 PLD1 (0.43) PLD1OPRL1OPRM1OPRK1SMYD3
SCHEMBL4438978 0.78 PLD1 (0.43) PLD1OPRL1OPRM1OPRK1SMYD3
SCHEMBL4436741 0.78 PLD1 (0.43) PLD1OPRL1OPRM1OPRK1SMYD3
SCHEMBL4434765 0.77 PLD1 (0.44) PLD1OPRL1OPRM1OPRK1SCN1A
Hydrochloric Acid SCHEMBL4439105 0.77 PLD1 (0.42) PLD1OPRL1OPRM1OPRK1SMYD3
SCHEMBL4440513 0.76 SMYD3 (0.47) PLD1OPRL1SMYD3HSD11B1HTR7
SCHEMBL4436720 0.76 PLD1 (0.43) PLD1OPRL1OPRM1OPRK1SCN1A
SCHEMBL4446730 0.76 PLD1 (0.43) PLD1OPRL1OPRM1OPRK1SCN1A
SCHEMBL4444333 0.75 PLD1 (0.42) PLD1OPRL1OPRM1OPRK1SCN1A

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 PLD1 351/4885OPRL1 2087/4885OPRM1 4069/4885

“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.