SCHEMBL4444753

SCHEMBL4444753

CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cc(C(=N)NO)ccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CCR5 P51681 2/20 0.47
CHRM1 P11229 3/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
YEATS4 O95619 1/20 0.43
KCNH2 Q12809 1/20 0.43
PLD2 O14939 4/20 0.43
PLD1 Q13393 4/20 0.43

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
SCHEMBL29848320 0.87 HSD11B1 (0.51) HSD11B1USP2ALDH1A1LMNACCR5
SCHEMBL4440785 0.87 HSD11B1 (0.51) HSD11B1USP2ALDH1A1LMNACCR5
SCHEMBL4443186 0.87 HSD11B1 (0.52) HSD11B1USP2ALDH1A1LMNACCR5
SCHEMBL4434708 0.87 CCR5 (0.53) HSD11B1USP2ALDH1A1LMNACCR5
SCHEMBL4440175 0.87 USP2 (0.54) HSD11B1USP2ALDH1A1LMNACCR5
SCHEMBL28706708 0.84 CCR5 (0.51) HSD11B1CCR5CHRM1CHRM2CHRM4
SCHEMBL4435736 0.84 YEATS4 (0.62) HSD11B1USP2ALDH1A1LMNACCR5
SCHEMBL29198147 0.83 CHRM1 (0.53) HSD11B1CCR5CHRM1CHRM2CHRM4
SCHEMBL4440108 0.83 HSD11B1 (0.48) HSD11B1USP2ALDH1A1LMNACCR5
SCHEMBL4446028 0.83 HSD11B1 (0.48) HSD11B1USP2ALDH1A1LMNACCR5

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 disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO 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 HSD11B1 201/4885USP2 896/4885ALDH1A1 2622/4885

“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.