SCHEMBL4432833

SCHEMBL4432833

COC(=O)c1ccc2c(c1)CC(=O)N2C1CCN(CC(=O)N2CCC(C)(OC)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.46
CHRM4 P08173 4/20 0.42
KCNH2 Q12809 3/20 0.42
HSD11B1 P28845 1/20 0.41
PLD1 Q13393 1/20 0.40
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36

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
SCHEMBL4440650 0.91 CHRM4 (0.41) OPRL1CHRM4KCNH2HSD11B1PLD1
SCHEMBL4437940 0.91 OPRL1 (0.45) OPRL1CHRM4KCNH2HSD11B1PLD1
Hydrochloric Acid SCHEMBL4555075 0.91 CHRM4 (0.41) OPRL1CHRM4KCNH2HSD11B1PLD1
SCHEMBL5000753 0.84 OPRL1 (0.45) OPRL1CHRM4KCNH2HSD11B1PLD1
SCHEMBL4444348 0.84 OPRL1 (0.47) OPRL1CHRM4KCNH2HSD11B1PLD1
SCHEMBL4446730 0.82 PLD1 (0.43) OPRL1CHRM4KCNH2HSD11B1PLD1
Hydrochloric Acid SCHEMBL4436857 0.81 PLD1 (0.42) OPRL1CHRM4KCNH2HSD11B1PLD1
SCHEMBL4555488 0.81 OPRL1 (0.37) OPRL1ALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL4436720 0.80 PLD1 (0.43) OPRL1CHRM4KCNH2HSD11B1PLD1
SCHEMBL4439121 0.80 CHRM4 (0.37) OPRL1CHRM4KCNH2HSD11B1PLD1

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
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 OPRL1 2087/4885CHRM4 4343/4885KCNH2 4650/4885

“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.