SCHEMBL22977773

SCHEMBL22977773

CC(=O)NC[C@@H]1CC[C@H](O)[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.42
GLA P06280 1/20 0.37
ENGASE Q8NFI3 1/20 0.36
NPSR1 Q6W5P4 1/20 0.32
CACNA1H O95180 1/20 0.32
FAP Q12884 2/20 0.32
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32
MTNR1A P48039 4/20 0.31
MTNR1B P49286 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL22482094 0.88 FUCA1 (0.47) FUCA1GLAENGASENPSR1CACNA1H
SCHEMBL24133924 0.78 FUCA1 (0.38) FUCA1GLAENGASENPSR1CACNA1H
SCHEMBL17249606 0.77
SCHEMBL30421032 0.76 CA1 (0.47) FUCA1GLAENGASEFAPDPP4
SCHEMBL21602026 0.74 FUCA1 (0.40) FUCA1GLAENGASENPSR1CACNA1H
SCHEMBL13809942 0.74 CYP2C9 (0.38) FUCA1GLANPSR1CACNA1HFAP
SCHEMBL13809941 0.74 CYP2C9 (0.38) FUCA1GLANPSR1CACNA1HFAP
SCHEMBL1866565 0.73 FUCA1 (0.40) FUCA1GLAENGASENPSR1CACNA1H
SCHEMBL25608119 0.72 FUCA1 (0.37) FUCA1GLAENGASENPSR1CACNA1H
SCHEMBL10563256 0.71 FUCA1 (0.51) FUCA1GLA

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
EP-3825313-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2021-05-26 EP disclosed
US-20210047304-A1 Bromodomain Inhibitors ABBVIE INC. 2021-02-18 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 (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-20210047304-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 FUCA1 2712/4885GLA 1340/4885ENGASE 3669/4885

“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.