SCHEMBL4446003

SCHEMBL4446003

CC1(C)CCN(C(=O)CN2C3CCC2CC(n2c(=O)[nH]c4cc(S(C)(=O)=O)ccc42)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
CCR5 P51681 1/20 0.41
CALCRL Q16602 1/20 0.40
CCR3 P51677 2/20 0.37
YEATS4 O95619 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARG Q86W56 1/20 0.36
DRD2 P14416 3/20 0.36
CHRM1 P11229 2/20 0.36
PLD1 Q13393 4/20 0.36
PLD2 O14939 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
HSD11B1 P28845 1/20 0.35
OPRK1 P41145 1/20 0.35
TNKS O95271 2/20 0.35

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
SCHEMBL5000705 0.92 OPRM1 (0.45) OPRM1CCR5CALCRLCCR3YEATS4
SCHEMBL4435813 0.88 OPRM1 (0.57) OPRM1CALCRLYEATS4KCNH2DRD2
Hydrochloric Acid SCHEMBL4446657 0.87 OPRM1 (0.56) OPRM1CALCRLYEATS4KCNH2DRD2
SCHEMBL5000673 0.85 OPRM1 (0.46) OPRM1CCR5CALCRLCCR3YEATS4
SCHEMBL5000679 0.81 OPRM1 (0.43) OPRM1CCR5CALCRLCCR3YEATS4
SCHEMBL4991406 0.81 OPRM1 (0.58) OPRM1CALCRLYEATS4KCNH2DRD2
SCHEMBL4436712 0.80 OPRM1 (0.48) OPRM1YEATS4KCNH2DRD2CHRM1
SCHEMBL4436308 0.78 OPRM1 (0.47) OPRM1YEATS4KCNH2PARGDRD2
SCHEMBL4434744 0.77 PLD2 (0.36) CCR3YEATS4KCNH2CHRM1PLD1
SCHEMBL4444762 0.73 OPRM1 (0.57) OPRM1CALCRLYEATS4KCNH2DRD2

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 3 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

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 4069/4885CCR5 1132/4885CALCRL 1266/4885

“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.