SCHEMBL4333631

SCHEMBL4333631

C[C@@H](c1ccnc(Cl)c1)N1CC(C)(C)OC(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1B Q00975 2/20 0.34
MAPK1 P28482 1/20 0.32
GRM5 P41594 4/20 0.31
HSD11B1 P28845 4/20 0.31

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
SCHEMBL4094121 0.74 HSD11B1 (0.48) KCNH2HSD11B1
SCHEMBL15259970 0.65 OGA (0.43)
SCHEMBL2759112 0.63 RECQL (0.42) OPRM1OPRK1KCNH2
SCHEMBL24367658 0.62 RECQL (0.42) OPRM1OPRK1KCNH2
SCHEMBL7993514 0.62 RECQL (0.41) OPRM1OPRK1KCNH2
SCHEMBL23475190 0.61 RECQL (0.39) OPRM1OPRK1KCNH2
SCHEMBL24387376 0.61 ADRB2 (0.45) OPRM1OPRK1KCNH2
SCHEMBL2040052 0.61 RECQL (0.44) OPRM1OPRK1KCNH2
SCHEMBL17000217 0.61 RECQL (0.39) OPRM1OPRK1KCNH2
SCHEMBL4330263 0.61 RECQL (0.44) OPRM1OPRK1KCNH2

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
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 OPRM1 11/4885OPRK1 139/4885KCNH2 272/4885

“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.