SCHEMBL5000779

SCHEMBL5000779

CCC1(C)CCN(C(=O)CN2CCC(n3c(=O)[nH]c4cc(-c5noc(=O)[nH]5)ccc43)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CTSS P25774 5/20 0.41
PLD1 Q13393 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM1 P11229 1/20 0.38
PLD2 O14939 3/20 0.38
PLA2G2A P14555 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL4440103 0.93 CTSS (0.42) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4440184 0.88 CTSS (0.44) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4440717 0.80 YEATS4 (0.55) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4435623 0.79 PLD2 (0.39) KCNH2PLD1CHRM1PLD2TNKS
SCHEMBL4436430 0.79 CTSS (0.44) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4436328 0.78 PLD1 (0.51) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4437888 0.78 YEATS4 (0.42) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL5000682 0.77 HTT (0.43) HTR1AADRA2ADRD2HTR2ASLC6A4
SCHEMBL4435644 0.75 CCR5 (0.46) HTR1ACTSSCHRM1
SCHEMBL4446685 0.74 CTSS (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US 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 HTR1A 2156/4885ADRA2A 1873/4885DRD2 4274/4885

“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.