SCHEMBL5000705

SCHEMBL5000705

COC1(C)CCN(C(=O)CN2C3CCC2CC(n2c(=O)[nH]c4cc(S(C)(=O)=O)ccc42)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
CCR5 P51681 1/20 0.39
CALCRL Q16602 1/20 0.38
OPRK1 P41145 2/20 0.37
TNKS O95271 2/20 0.35
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
HSD11B1 P28845 4/20 0.35
YEATS4 O95619 1/20 0.34
KCNH2 Q12809 1/20 0.34
PARG Q86W56 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL4446003 0.92 OPRM1 (0.47) OPRM1CCR5CALCRLOPRK1TNKS
SCHEMBL5000673 0.82 OPRM1 (0.46) OPRM1CCR5CALCRLOPRK1YEATS4
SCHEMBL5000679 0.80 OPRM1 (0.43) OPRM1CCR5CALCRLOPRK1HSD11B1
SCHEMBL4435813 0.79 OPRM1 (0.57) OPRM1CALCRLHSD11B1YEATS4KCNH2
Hydrochloric Acid SCHEMBL4446657 0.79 OPRM1 (0.56) OPRM1CALCRLHSD11B1YEATS4KCNH2
SCHEMBL4565985 0.78 CHRM2 (0.36) OPRM1OPRK1HSD11B1YEATS4KCNH2
SCHEMBL4991406 0.78 OPRM1 (0.58) OPRM1CALCRLHSD11B1YEATS4KCNH2
SCHEMBL4444418 0.78 OPRM1 (0.56) OPRM1CALCRLYEATS4KCNH2HTR1A
Trifluoroacetic Acid SCHEMBL5032180 0.75 CHRM2 (0.33) OPRM1OPRK1TNKSPARP1PARP2
SCHEMBL4435435 0.75 YEATS4 (0.49) OPRM1HSD11B1YEATS4KCNH2HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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