SCHEMBL4445902

SCHEMBL4445902

CC(C)(C)C1CCC(C(=O)CN2CCC(n3c(=O)[nH]c4cc(S(C)(=O)=O)ccc43)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.60
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
PLD1 Q13393 8/20 0.44
CALCRL Q16602 1/20 0.43
PLD2 O14939 7/20 0.42
NPY5R Q15761 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
YEATS4 O95619 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTSS P25774 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
SCHEMBL4437910 0.92 OPRM1 (0.59) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4444336 0.91 OPRM1 (0.61) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4435308 0.90 OPRM1 (0.62) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4433069 0.89 OPRM1 (0.60) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4438883 0.89 OPRM1 (0.60) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4434554 0.88 OPRM1 (0.59) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4991349 0.86 OPRM1 (0.59) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4444418 0.84 OPRM1 (0.56) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4445847 0.81 OPRM1 (0.63) OPRM1HTR1AADRA2ADRD2HTR2A
SCHEMBL4991406 0.79 OPRM1 (0.58) OPRM1HTR1AADRA2ADRD2HTR2A

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
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
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 OPRM1 4069/4885HTR1A 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.