SCHEMBL9917103

SCHEMBL9917103

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.97
OPRD1 P41143 4/20 0.79
OPRK1 P41145 4/20 0.79
SLC22A1 O15245 1/20 0.79
SLC6A4 P31645 1/20 0.79
ADRA1A P35348 1/20 0.79
KCNH2 Q12809 1/20 0.79
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL13284143 0.89 OPRM1 (0.97) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL25431 0.88 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL28905219 0.87 OPRM1 (0.97) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL1083668 0.87 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL41046 0.87 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL2860723 0.87 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL194412 0.87 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL27945061 0.87 OPRM1 (0.97) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10246305 0.86 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Meperidine SCHEMBL3054250 0.86 OPRM1 (0.94) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-14 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-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS OPRM1 2013/4885OPRD1 3594/4885OPRK1 2388/4885

“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.