SCHEMBL2189103

SCHEMBL2189103

CC(CN1C(=O)C(c2cc3c(cc2O)OCO3)c2ccccc21)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
GSK3B P49841 1/20 0.36
ADK P55263 1/20 0.36
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
GGT1 P19440 1/20 0.35

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
SCHEMBL281566 0.81 SCN9A (0.52) SCN9AALDH1A1TSHRGSK3BADK
SCHEMBL2994860 0.79 SCN9A (0.52) SCN9AALDH1A1TSHRGSK3BADK
SCHEMBL27707819 0.77 SCN9A (0.53) SCN9AALDH1A1TSHRGSK3BMAPT
SCHEMBL281769 0.76 SCN9A (0.75) SCN9AALDH1A1KMT2A
SCHEMBL27707812 0.76 SCN9A (0.54) SCN9AALDH1A1TSHRNPC1RAB9A
SCHEMBL282036 0.75 SCN9A (0.74) SCN9AALDH1A1KMT2A
SCHEMBL281812 0.75 SCN9A (0.53) SCN9ATSHR
SCHEMBL281216 0.75 SCN9A (0.53) SCN9AALDH1A1TSHRGSK3BNPC1
SCHEMBL14506502 0.75 SCN9A (0.51) SCN9AALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL27728430 0.75 SCN9A (0.46) SCN9AALDH1A1TSHRGSK3BADK

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-8466188-B2 Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-06-18 US disclosed
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-07-14 US disclosed
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 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 (2 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-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B SCN9A 2100/4885ALDH1A1 1202/4885TSHR 1059/4885
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B SCN9A 2100/4885ALDH1A1 1202/4885TSHR 1059/4885

“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.