SCHEMBL2431768

SCHEMBL2431768

O=C1C(=O)N2CCCOc3cccc1c32

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.56
PKM P14618 5/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP3K5 Q99683 1/20 0.35
MAPT P10636 2/20 0.35
APAF1 O14727 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CDK4 P11802 3/20 0.33
HTR1A P08908 2/20 0.33
PKLR P30613 1/20 0.33

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
SCHEMBL9172178 0.90 CES1 (0.51) CES1PKMTSHRALDH1A1BCHE
SCHEMBL8768338 0.72 CES1 (1.00) CES1ALDH1A1MEN1POLBKMT2A
SCHEMBL29876651 0.72 HTR1A (0.37) CES1MEN1KMT2AHTR1A
SCHEMBL749609 0.71 CES1 (0.90) CES1ALDH1A1MEN1POLBKMT2A
SCHEMBL2429208 0.70 CES1 (0.88) CES1ALDH1A1MEN1POLBKMT2A
SCHEMBL9170732 0.70 CES1 (0.36) CES1PKMALDH1A1BCHEACHE
SCHEMBL2430737 0.69 CES1 (0.56) CES1ALDH1A1MEN1POLBKMT2A
SCHEMBL15628645 0.69 GABRP (0.46) MAP3K5
SCHEMBL9391540 0.68 CES1 (0.81) CES1ALDH1A1BCHEACHEMEN1
SCHEMBL9179029 0.65 MAOB (0.50) MAPTCYP3A4

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 CES1 2977/4885PKM 259/4885TSHR 2014/4885
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A CES1 2977/4885PKM 259/4885TSHR 2014/4885

“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.