SCHEMBL18319261

SCHEMBL18319261

COc1cc(Cl)c(C(C)C)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
RORC P51449 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
LPAR1 Q92633 2/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
HTR2A P28223 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL29768359 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL15053663 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL30422333 0.80 TAAR1 (0.61) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL12486805 0.80 TAAR1 (0.61) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL13683163 0.79 THRB (0.46) THRBRORCPDE4APDE4BPDE4C
SCHEMBL13241837 0.79 PDE4A (0.43) THRBRORCPDE4APDE4BPDE4C
SCHEMBL14985952 0.77 TAAR1 (0.50) THRBRORCTAAR1LPAR1P2RX3
SCHEMBL13696483 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL23288682 0.76 THRB (0.37) THRBRORCLPAR1P2RX3P2RX2
SCHEMBL19628279 0.76 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107743488-B 2-oxo-1, 3, 8-triazaspiro [4.5] decan-3-yl ] carboxylic acid derivatives 伊莱利利公司 2020-09-11 CN disclosed
EP-3310780-A1 2-OXO-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL]CARBOXYLIC ACID DERIVATIVES Eli Lilly and Company (US) 2018-04-25 EP disclosed
US-9920056-B2 2-oxo-1,3,8-triazaspiro[4.5]decan-3-yl] carboxylic acid derivatives ELI LILLY AND COMPANY (US) 2018-03-20 US disclosed
US-20160368922-A1 2-OXO-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL] CARBOXYLIC ACID DERIVATIVES ELI LILLY AND COMPANY 2016-12-22 US disclosed
WO-2016205032-A1 2-OXO-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL] CARBOXYLIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 2016-12-22 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-20160368922-A1 2-OXO-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL] CARBOXYLIC ACID DERIVATIVES SLC5A2, SLC5A1, GPR119 THRB 530/4885RORC 1231/4885PDE4A 1173/4885

“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.