SCHEMBL6203695

SCHEMBL6203695

O=C(Nc1ccccc1-c1nc(Br)cs1)OCC1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.65
CHRM2 P08172 14/20 0.65
CHRM1 P11229 14/20 0.65
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL6449681 0.94 CHRM3 (0.60) CHRM3CHRM2CHRM1HDAC3HDAC1
SCHEMBL6205219 0.89 CHRM3 (0.67) CHRM3CHRM2CHRM1HDAC3HDAC1
SCHEMBL828973 0.88 CHRM3 (0.65) CHRM3CHRM2CHRM1HDAC3HDAC1
SCHEMBL6205113 0.88 CHRM3 (0.65) CHRM3CHRM2CHRM1HDAC3HDAC1
SCHEMBL6205056 0.88 CHRM3 (0.68) CHRM3CHRM2CHRM1HDAC3HDAC1
Hydrochloric Acid SCHEMBL828972 0.87 CHRM3 (0.64) CHRM3CHRM2CHRM1HDAC3HDAC1
SCHEMBL6202027 0.87 CHRM3 (0.64) CHRM3CHRM2CHRM1HDAC3HDAC1
Hydrochloric Acid SCHEMBL6420821 0.87 CHRM3 (0.67) CHRM3CHRM2CHRM1HDAC3HDAC1
SCHEMBL6205842 0.87 CHRM3 (0.64) CHRM3CHRM2CHRM1HDAC3HDAC1
SCHEMBL6204696 0.87 CHRM3 (0.64) CHRM3CHRM2CHRM1HDAC3HDAC1

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 4 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

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 CHRM3 1/4885CHRM2 2/4885CHRM1 8/4885

“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.