SCHEMBL6225945

SCHEMBL6225945

CC1(C)OB(c2ccc(NC(=O)OCC3CCN(C(=O)O)CC3)cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.48
MAOB P27338 5/20 0.48
ACHE P22303 5/20 0.47
PTGIR P43119 1/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CHRM3 P20309 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL16907822 0.89 PTGIR (0.49) BCHEMAOBACHEPTGIRNPC1
SCHEMBL6224442 0.88 BCHE (0.48) BCHEMAOBACHEPTGIRNPC1
SCHEMBL6421300 0.82 CHRM3 (0.48) BCHEMAOBACHEHDAC3HDAC1
SCHEMBL16468054 0.81 HIF1A (0.41) CA1CA2CA9
SCHEMBL22738206 0.78 KMT2A (0.44) ALDH1A1
SCHEMBL28602436 0.76 CA1 (0.50) NPC1ALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL16612525 0.75 RBP4 (0.43) CA1CA2CA9
SCHEMBL21381109 0.74 USP30 (0.41) ACHE
SCHEMBL17394174 0.74 SMN1; SMN2 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2CA1
SCHEMBL586426 0.74 HIF1A (0.42) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US claimed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP claimed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP claimed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 WO claimed
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US disclosed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 BCHE 97/4885MAOB 1120/4885ACHE 43/4885

“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.