SCHEMBL5115602

SCHEMBL5115602

Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 0.56
CHRM2 P08172 13/20 0.56
CHRM4 P08173 11/20 0.56
NAMPT P43490 1/20 0.45

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
SCHEMBL5115604 1.00 CHRM1 (0.56) CHRM1CHRM2CHRM4NAMPT
SCHEMBL4868636 1.00 CHRM1 (0.56) CHRM1CHRM2CHRM4NAMPT
SCHEMBL4870913 0.85 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPT
SCHEMBL4868987 0.85 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPT
SCHEMBL4868985 0.85 CHRM1 (0.53) CHRM1CHRM2CHRM4NAMPT
SCHEMBL2113915 0.80 CHRM1 (0.35) CHRM1CHRM2CHRM4NAMPT
SCHEMBL4651411 0.73 NR1H2 (0.41) CHRM1CHRM2CHRM4
SCHEMBL5121326 0.73 NR1H2 (0.41) CHRM1CHRM2CHRM4
SCHEMBL4651408 0.73 NR1H2 (0.41) CHRM1CHRM2CHRM4
SCHEMBL2113831 0.73 NR1H2 (0.41) CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-7378447-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 US disclosed
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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 (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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 CHRM1 2/4885CHRM2 4/4885CHRM4 5/4885
US-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 CHRM1 2/4885CHRM2 4/4885CHRM4 5/4885

“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.