SCHEMBL4440103

SCHEMBL4440103

CC1(C)CCN(C(=O)CN2CCC(n3c(=O)[nH]c4cc(-c5noc(=O)[nH]5)ccc43)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
YEATS4 O95619 1/20 0.41
KCNH2 Q12809 1/20 0.41
PLD1 Q13393 5/20 0.41
PLD2 O14939 4/20 0.41

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
SCHEMBL5000779 0.93 HTR1A (0.41) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4440184 0.90 CTSS (0.44) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4435623 0.86 PLD2 (0.39) KCNH2PLD1PLD2
SCHEMBL4436430 0.86 CTSS (0.44) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4437888 0.85 YEATS4 (0.42) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL5000682 0.82 HTT (0.43) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4435287 0.80 YEATS4 (0.51) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4436328 0.80 PLD1 (0.51) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4435813 0.79 OPRM1 (0.57) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4443097 0.79 TNKS (0.52) HTR1AADRA2ADRD2HTR2ASLC6A4

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 CTSS 667/4885HTR1A 2156/4885ADRA2A 1873/4885

“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.