SCHEMBL2434034

SCHEMBL2434034

O=C1N2CCCCCc3cccc(c32)C1(O)c1cc2c(cc1O)OCO2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
SCN9A Q15858 9/20 0.38
MAP2K1 Q02750 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CES1 P23141 2/20 0.36
PKM P14618 1/20 0.35
P4HB P07237 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
SCHEMBL2426874 0.83 SCN9A (0.36) ALDH1A1GAASCN9ATSHRHSD17B10
SCHEMBL13306376 0.79 SCN9A (0.45) ALDH1A1GAASCN9ACES1
SCHEMBL2429034 0.72 DRD1 (0.39) ALDH1A1TSHRHSD17B10CES1PKM
SCHEMBL15314987 0.69 TSHR (0.55) ALDH1A1GAASCN9ATSHRHSD17B10
SCHEMBL281702 0.67 SCN9A (0.46) ALDH1A1GAASCN9ATSHRHSD17B10
SCHEMBL2427072 0.67 SCN9A (0.38) ALDH1A1GAASCN9ACES1
SCHEMBL2429837 0.67 SCN9A (0.35) ALDH1A1GAASCN9A
SCHEMBL27728425 0.66 SCN9A (0.47) ALDH1A1GAASCN9ATSHRHSD17B10
SCHEMBL2998882 0.65 SCN9A (0.56) ALDH1A1SCN9ATSHRHSD17B10
SCHEMBL1612096 0.65 KMT2A (0.63) ALDH1A1GAA

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-20110237567-A9 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-09-29 US disclosed
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-24 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 (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-20110237567-A9 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A ALDH1A1 1829/4885GAA 3870/4885SCN9A 57/4885
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A ALDH1A1 1829/4885GAA 3870/4885SCN9A 57/4885

“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.