SCHEMBL4440184

SCHEMBL4440184

CC1CCN(C(=O)CN2CCC(n3c(=O)[nH]c4cc(-c5noc(=O)[nH]5)ccc43)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
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
PLD1 Q13393 6/20 0.42
TNKS O95271 2/20 0.41
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
PLD2 O14939 5/20 0.40
HSD11B1 P28845 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
SCHEMBL4440103 0.90 CTSS (0.42) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL5000779 0.88 HTR1A (0.41) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4446685 0.86 CTSS (0.45) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4436328 0.81 PLD1 (0.51) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4435644 0.80 CCR5 (0.46) CTSSHTR1AHSD11B1
SCHEMBL4438969 0.78 YEATS4 (0.53) DRD2PLD1PLD2HSD11B1
SCHEMBL14146550 0.77 YEATS4 (0.65) DRD2PLD1PLD2
SCHEMBL4436430 0.76 CTSS (0.44) CTSSHTR1AADRA2ADRD2HTR2A
SCHEMBL4435623 0.76 PLD2 (0.39) PLD1TNKSPARP1PARP2PLD2
SCHEMBL4434717 0.76 YEATS4 (0.61) CTSSHTR1AADRA2ADRD2HTR2A

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 4 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
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US 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.