SCHEMBL20179866

SCHEMBL20179866

CC(C)N1CCOC(COCC(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
PDK1 Q15118 9/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL26723897 0.89 HRH3 (0.51) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL26727069 0.86 HRH3 (0.52) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL26723898 0.81 HRH3 (0.49) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL24477442 0.80 HRH3 (0.60) HRH3PDK1CCR2KCNH2ERBB2
SCHEMBL4546587 0.80 HRH3 (0.50) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL16768023 0.79 HRH3 (0.53) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL17014690 0.79 PDK1 (0.58) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL26209374 0.79 HRH3 (0.44) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL18721176 0.78 HRH3 (0.48) HRH3PDK1CCR2KCNH2NPSR1
SCHEMBL18027856 0.78 HRH3 (0.48) HRH3PDK1CCR2KCNH2NPSR1

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-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
WO-2018090862-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-05-24 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-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS HRH3 994/4885PDK1 1969/4885CCR2 3031/4885

“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.