SCHEMBL5635804

SCHEMBL5635804

COC(=O)N1C2CCCC1CC(OS(C)(=O)=O)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
TP53 P04637 1/20 0.35
GRM5 P41594 3/20 0.34
HCRTR2 O43614 3/20 0.34
JAK3 P52333 5/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 3/20 0.32
HTR3A P46098 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 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
SCHEMBL5636192 0.85 CHRM1 (0.44) CHRM1CHRM2CHRM3SMN1; SMN2
SCHEMBL911107 0.84 CHRM2 (0.59) CHRM1CHRM2CHRM3
SCHEMBL911108 0.84 CHRM2 (0.59) CHRM1CHRM2CHRM3
SCHEMBL5636057 0.80 CHRM1 (0.56) CHRM1CHRM2CHRM3GRM5JAK1
SCHEMBL6309361 0.78 CHRM1 (0.46) CHRM1CHRM2CHRM3
SCHEMBL16421281 0.77 CHRM2 (0.67) CHRM1CHRM2CHRM3
SCHEMBL18662292 0.77 CHRM2 (0.67) CHRM1CHRM2CHRM3
SCHEMBL20635018 0.77 CHRM2 (0.67) CHRM1CHRM2CHRM3
SCHEMBL1029630 0.77 CHRM2 (0.67) CHRM1CHRM2CHRM3
SCHEMBL18682177 0.77 CHRM2 (0.67) CHRM1CHRM2CHRM3

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
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 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 (2 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CHRM1 22/4885CHRM2 17/4885CHRM3 1/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CHRM1 17/4885CHRM2 6/4885CHRM3 1/4885

“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.