SCHEMBL18319085

SCHEMBL18319085

Cc1cc(F)c(C=O)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYR P14679 1/20 0.34
ERN1 O75460 2/20 0.33
TSHR P16473 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
LMNA P02545 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
SCHEMBL12413853 0.82 EIF4A3 (0.38) ALDH1A1SMN1; SMN2TYRERN1TSHR
SCHEMBL13049121 0.82 GRIA1 (0.42) ALDH1A1SMN1; SMN2TYRERN1TSHR
SCHEMBL13652480 0.79 TDP1 (0.34) ALDH1A1SMN1; SMN2TYRERN1LMNA
SCHEMBL5504159 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ERN1TSHRGRIA1
SCHEMBL12375394 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ERN1TSHRGRIA1
SCHEMBL9945874 0.77 LMNA (0.35) ALDH1A1LMNA
SCHEMBL25534375 0.75 TYR (0.38) ALDH1A1SMN1; SMN2TYRERN1TSHR
SCHEMBL13588022 0.74 GABRA1 (0.34) ALDH1A1LMNA
SCHEMBL20642320 0.74 EIF4A3 (0.37) ALDH1A1LMNA
SCHEMBL22302453 0.74 TYR (0.43) ALDH1A1SMN1; SMN2TYRERN1TSHR

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 6 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
CN-107743488-A 2-oxo-1, 3, 8-triazaspiro [4.5] decan-3-yl ] carboxylic acid derivatives 伊莱利利公司 2018-02-27 CN 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 ALDH1A1 131/4885SMN1; SMN2 2434/4885TYR 263/4885

“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.