SCHEMBL4564080

SCHEMBL4564080

CCOC(=O)C1(C)CCN(c2ccc(C(O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
OPRD1 P41143 5/20 0.41
OPRK1 P41145 5/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNA3 P22001 2/20 0.41
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2947757 0.82 MAPT (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28704750 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2946650 0.76 USP2 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13624223 0.75 MAPT (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL629912 0.74 MEN1 (0.54) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL981749 0.73 MAPT (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8809190 0.72 CYP3A4 (0.66) OPRM1OPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL3315322 0.72 CYP2C9 (0.51) ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL13624217 0.72 MAPT (0.67) ALDH1A1LMNAMAPT
SCHEMBL630859 0.70 MEN1 (0.50) ALDH1A1L3MBTL1GAACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 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-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 OPRM1 4506/4885OPRD1 3788/4885OPRK1 4017/4885

“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.