SCHEMBL29348181

SCHEMBL29348181

CCN(CCCC(=O)NCCCOCCOC(C)=O)c1cc(OC)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITPR1 Q14643 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ GBA1 P04062 3/20 0.40
▸ P2RY6 Q15077 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CHRM1 P11229 2/20 0.36

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
SCHEMBL14013427 0.90 P2RY6 (0.45) ITPR1CA12CA1CA2CA9
SCHEMBL14013342 0.89 HTR3A (0.44) ITPR1CA12CA1CA2CA9
SCHEMBL14013355 0.89 HTR3A (0.44) ITPR1CA12CA1CA2CA9
SCHEMBL14013358 0.88 HTR3A (0.47) ITPR1CA12CA1CA2CA9
SCHEMBL14013356 0.86 HTR3A (0.42) ITPR1CA12CA1CA2CA9
SCHEMBL14013423 0.86 MEN1 (0.43) ITPR1CA12CA1CA2CA9
SCHEMBL14013347 0.86 GBA1 (0.46) ITPR1CA12CA1CA2CA9
SCHEMBL14163351 0.85 P2RY6 (0.46) ITPR1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL3997760 0.85 MEN1 (0.42) ITPR1CA12CA1CA2CA9
SCHEMBL16970586 0.85 HTR3A (0.37) ITPR1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238442-A1 LIPOSOMES DISPLAYING A GLYCAN LIGAND FOR CD33 AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE UNIV ALBERTA (CA) 2024-07-18 — — 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-20240238442-A1 LIPOSOMES DISPLAYING A GLYCAN LIGAND FOR CD33 AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE NEU3, SIGLEC7, LGALS3 ITPR1 2106/4885CA12 1053/4885CA1 1095/4885

“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.

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