SCHEMBL3349347

SCHEMBL3349347

Cc1onc2c1C1(CO2)C(=O)N2CCCCc3cccc1c32

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.35
MAP2K1 Q02750 1/20 0.34
CES1 P23141 2/20 0.33
BRD4 O60885 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
ALOX12 P18054 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
SCHEMBL13306376 0.72 SCN9A (0.45) ALDH1A1GAAUSP2CES1
SCHEMBL10366644 0.66 ALDH1A1 (0.51) ALDH1A1GAAUSP2MAP2K1CES1
SCHEMBL13306380 0.64 MAP3K5 (0.31)
SCHEMBL2434034 0.61 ALDH1A1 (0.39) ALDH1A1GAAMAP2K1CES1
SCHEMBL10860119 0.61 ALDH1A1 (0.53) ALDH1A1GAAUSP2MAP2K1CES1
SCHEMBL28746487 0.60 ALDH1A1 (0.46) ALDH1A1GAAUSP2MAP2K1CES1
SCHEMBL6746228 0.59 MAP2K1 (0.53) ALDH1A1GAAUSP2MAP2K1CES1
SCHEMBL29565540 0.58 ALDH1A1 (0.44) ALDH1A1GAAUSP2MAP2K1CES1
SCHEMBL9560034 0.57 CES1 (0.50) GAACES1HTR2CHTR2B
SCHEMBL749609 0.55 CES1 (0.90) ALDH1A1CES1HTR2CHTR2BALOX12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
WO-2008046046-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO 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-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A ALDH1A1 1829/4885GAA 3870/4885USP2 4837/4885

“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.