SCHEMBL5634834

SCHEMBL5634834

CCOC(=O)N1C2CCCC1CC(O)C2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.53
CHRM2 P08172 3/20 0.53
CHRM3 P20309 2/20 0.53
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2191074 0.93 CHRM1 (0.61) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL29822414 0.87 CHRM1 (0.49) CHRM1CHRM4CHRM5ALDH1A1TSHR
SCHEMBL12131804 0.86 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL17354962 0.85 CHRM1 (0.51) CHRM1CHRM4CHRM5ALDH1A1TSHR
SCHEMBL10063523 0.85 CHRM1 (0.51) CHRM1CHRM4CHRM5ALDH1A1TSHR
SCHEMBL5636057 0.81 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM4ALDH1A1
SCHEMBL12128830 0.81 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL5636192 0.81 CHRM1 (0.44) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL14145633 0.81 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL3744007 0.80 CHRM1 (0.46) CHRM1CHRM2CHRM4CHRM5

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.