SCHEMBL6045487

SCHEMBL6045487

CCOC(=O)N(c1ccccc1)C1(C(=O)OCC)CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.58
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
OPRD1 P41143 3/20 0.55
OPRK1 P41145 1/20 0.55
LMNA P02545 2/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
POLB P06746 1/20 0.52
CACNA1C Q13936 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL2990423 0.91 OPRM1 (0.58) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6045500 0.91 OPRM1 (0.69) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6045484 0.89 OPRM1 (0.56) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
Oxalic Acid SCHEMBL6045513 0.89 OPRM1 (0.56) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
Oxalic Acid SCHEMBL6045761 0.89 OPRM1 (0.67) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11565333 0.89 OPRM1 (0.73) OPRM1OPRD1OPRK1
Oxalic Acid SCHEMBL6045583 0.87 OPRM1 (0.56) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6045543 0.87 OPRM1 (0.56) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
Maleic Acid SCHEMBL6045651 0.86 OPRM1 (0.63) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19
Fumaric Acid SCHEMBL6045658 0.86 OPRM1 (0.63) OPRM1CYP3A4CYP2D6CYP2C9CYP2C19

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR OPRM1 148/4885CYP3A4 4753/4885CYP2D6 4634/4885

“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.