SCHEMBL4436712

SCHEMBL4436712

CCS(=O)(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C)(C)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
DRD2 P14416 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
DRD3 P35462 1/20 0.46
YEATS4 O95619 2/20 0.46
KCNH2 Q12809 2/20 0.46
PLD1 Q13393 7/20 0.43
PLD2 O14939 6/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPY5R Q15761 1/20 0.41
CHRM1 P11229 4/20 0.40
MLLT3 P42568 1/20 0.40

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
SCHEMBL4435813 0.92 OPRM1 (0.57) OPRM1DRD2HTR1AADRA2AHTR2A
Hydrochloric Acid SCHEMBL4446657 0.91 OPRM1 (0.56) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4436308 0.90 OPRM1 (0.47) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4991406 0.85 OPRM1 (0.58) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4435287 0.84 YEATS4 (0.51) DRD2HTR1AADRA2AHTR2ASLC6A4
SCHEMBL4443097 0.83 TNKS (0.52) OPRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4434784 0.82 YEATS4 (0.68) DRD2YEATS4KCNH2PLD1PLD2
SCHEMBL4443230 0.82 YEATS4 (0.56) DRD2YEATS4KCNH2PLD1PLD2
SCHEMBL4445890 0.82 YEATS4 (0.49) DRD2HTR1AADRA2AHTR2ASLC6A4
Hydrochloric Acid SCHEMBL4445757 0.82 YEATS4 (0.67) DRD2YEATS4KCNH2PLD1PLD2

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 OPRM1 4069/4885DRD2 4274/4885HTR1A 2156/4885

“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.