SCHEMBL561639

SCHEMBL561639

CCOC1(c2ccc(F)cc2)COCC[N]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
OPRM1 P35372 4/20 0.32
CACNA1H O95180 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
ALOX5 P09917 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4720537 0.85 HTR1A (0.36) OPRM1
SCHEMBL4720742 0.71 SLC6A3 (0.36) LMNA
SCHEMBL15043601 0.62 OPRM1 (0.42) OPRM1
SCHEMBL8362857 0.62 SLC6A3 (0.37) BACE1CACNA1HLMNA
SCHEMBL15043683 0.61 SLC6A4 (0.40) OPRM1
SCHEMBL2175183 0.59 SLC6A3 (0.40) OPRM1
SCHEMBL29002712 0.59 IDO1 (0.40) LMNA
SCHEMBL12614285 0.59 SLC6A3 (0.45) OPRM1
SCHEMBL5494541 0.58 OPRM1 (0.36) OPRM1
SCHEMBL9604744 0.58 SLC6A3 (0.35) BACE1OPRM1

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-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-02-09 US disclosed
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-02-10 US disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 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 (3 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 BACE1 4036/4885OPRM1 10/4885CACNA1H 52/4885
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B BACE1 3006/4885OPRM1 210/4885CACNA1H 77/4885
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B BACE1 3006/4885OPRM1 210/4885CACNA1H 77/4885

“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.