SCHEMBL25682373

SCHEMBL25682373

CCC1CN(C(C)C)CCCO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
PDK1 Q15118 4/20 0.35
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL16000539 0.89 HRH3 (0.53) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL16000538 0.89 HRH3 (0.53) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL12122183 0.89 HRH3 (0.53) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL25081503 0.84 HRH3 (0.42) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL25081529 0.84 HRH3 (0.42) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL26999673 0.84 PDK1 (0.50) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL25081505 0.80 HRH3 (0.40) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL25081526 0.80 HRH3 (0.40) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL16939080 0.75 PDK1 (0.37) HRH3PDK1EPHA2KCNH2
SCHEMBL13229791 0.75 PDK1 (0.37) HRH3PDK1EPHA2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
WO-2023081840-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORPORATION (US) 2023-05-11 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 (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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS HRH3 994/4885PDK1 1969/4885ERBB2 2729/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS HRH3 994/4885PDK1 1969/4885ERBB2 2729/4885

“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.