SCHEMBL27166299

SCHEMBL27166299

CCOCCOc1ccc(C[C@H]2CNCCNCCNCCN2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
LTA4H P09960 1/20 0.48
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ACACB O00763 1/20 0.35
THRA P10827 1/20 0.34
EPHX2 P34913 1/20 0.34
REN P00797 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL27166248 0.99 HRH3 (0.58) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166283 0.99 HRH3 (0.58) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166232 0.89 HRH3 (0.58) HRH3LTA4HMAOAMAOBREN
SCHEMBL27166281 0.89 HRH3 (0.58) HRH3LTA4HMAOAMAOBREN
SCHEMBL27268715 0.89 HRH3 (0.58) HRH3LTA4HMAOAMAOBREN
SCHEMBL27166279 0.88 HRH3 (0.66) HRH3LTA4HMAOAMAOBKMT2A
SCHEMBL27166233 0.88 HRH3 (0.58) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166238 0.82 HRH3 (0.41) HRH3LTA4HMAOAMAOBNCF1
SCHEMBL27280958 0.78 HRH3 (0.55) HRH3LTA4HMAOAKMT2ATDP1
SCHEMBL8200343 0.76 LTA4H (0.64) HRH3LTA4HMAOAMAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AG (DE) 2026-03-19 US disclosed
EP-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
EP-4583925-A1 COMBINATIONS OF CONTRAST AGENTS Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2024052573-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
WO-2024052573-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed
EP-4335461-A1 COMBINATIONS OF CONTRAST AGENTS Bayer AG (DE) 2024-03-13 EP 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-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS GBA1, GBA3, GLS2 HRH3 587/4885LTA4H 2669/4885MAOA 2124/4885

“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.