SCHEMBL2429034

SCHEMBL2429034

O=C1C(c2cc3c(cc2O)OCO3)c2cccc3c2N1CCCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.39
DRD2 P14416 1/20 0.39
P4HB P07237 3/20 0.38
DRD5 P21918 1/20 0.36
CES1 P23141 2/20 0.36
PKM P14618 1/20 0.35
KIF11 P52732 2/20 0.35
CYP2D6 P10635 3/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 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
SCHEMBL2433179 0.83 HTR1A (0.35) DRD1DRD2P4HBKIF11CYP2D6
SCHEMBL2431161 0.80 HTR2A (0.35) DRD1DRD2P4HB
SCHEMBL2434034 0.72 ALDH1A1 (0.39) P4HBCES1PKMTSHRALDH1A1
SCHEMBL3137692 0.65 ALDH1A1 (0.46) DRD2CES1CYP3A4LMNACYP1A2
SCHEMBL3133653 0.65 ALDH1A1 (0.46) DRD2CES1CYP3A4LMNACYP1A2
SCHEMBL3137686 0.65 ALDH1A1 (0.46) DRD2CES1CYP3A4LMNACYP1A2
SCHEMBL13270206 0.65 ALDH1A1 (0.46) DRD2CES1CYP3A4LMNACYP1A2
SCHEMBL2994860 0.65 SCN9A (0.52) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14977292 0.64 CES1 (0.42) DRD2CES1TSHRALDH1A1USP2
SCHEMBL13306376 0.64 SCN9A (0.45) CES1ALDH1A1USP2

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 DRD1 694/4885DRD2 590/4885P4HB 2273/4885
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A DRD1 694/4885DRD2 590/4885P4HB 2273/4885

“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.