SCHEMBL2431161

SCHEMBL2431161

O=C1C(c2cc3c(cc2O)OCO3)c2cccc3c2N1CCCS3

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.35
HTR2C P28335 10/20 0.35
DRD2 P14416 10/20 0.35
P4HB P07237 3/20 0.33
HTR2B P41595 1/20 0.33
DRD1 P21728 1/20 0.32
SMAD3 P84022 1/20 0.32

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
SCHEMBL2433179 0.82 HTR1A (0.35) DRD2P4HBDRD1SMAD3
SCHEMBL2429034 0.80 DRD1 (0.39) DRD2P4HBDRD1
SCHEMBL2429837 0.70 SCN9A (0.35)
SCHEMBL2431166 0.66 P4HB (0.31) P4HB
SCHEMBL2431152 0.65 SCN9A (0.44)
SCHEMBL2994860 0.64 SCN9A (0.52)
SCHEMBL281983 0.63 ALDH1A1 (0.40)
SCHEMBL281099 0.63 P4HB (0.47) P4HBSMAD3
SCHEMBL281812 0.62 SCN9A (0.53) HTR2ADRD2
SCHEMBL27707819 0.62 SCN9A (0.53)

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 HTR2A 557/4885HTR2C 643/4885DRD2 590/4885
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A HTR2A 557/4885HTR2C 643/4885DRD2 590/4885

“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.