SCHEMBL24477442

SCHEMBL24477442

CCOCC1CN(C(C)C)CCO1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.60
PDK1 Q15118 6/20 0.54
ERBB2 P04626 1/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
DRD4 P21917 2/20 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
SCHEMBL24600547 0.87 HRH3 (0.55) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL26938034 0.85 HRH3 (0.46) HRH3PDK1
SCHEMBL12110193 0.83 HRH3 (0.60) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL17212814 0.83 HRH3 (0.60) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL21166008 0.83 HRH3 (0.60) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL23442169 0.81 HRH3 (0.58) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL27323714 0.81 HRH3 (0.58) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL17827404 0.81 HRH3 (0.58) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL16000539 0.80 HRH3 (0.53) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL12122183 0.80 HRH3 (0.53) HRH3PDK1ERBB2EPHA2KDR

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
EP-4273143-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Dalian WZ Probiotics AD Health Co., Ltd (CN) 2023-11-08 EP disclosed
WO-2022144002-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 大连万众益生大健康有限公司 2022-07-07 WO disclosed
US-20220169660-A1 CYCLIC AMINO-PYRAZINECARBOXAMIDE COMPOUNDS AND USES THEREOF SILVERBACK THERAPEUTICS INC (US) 2022-06-02 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-20220169660-A1 CYCLIC AMINO-PYRAZINECARBOXAMIDE COMPOUNDS AND USES THEREOF TGFBR2, ACVR2A, SMAD2 HRH3 422/4885PDK1 875/4885ERBB2 326/4885

“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.