SCHEMBL4651699

SCHEMBL4651699

CCc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.40
KCNK3 O14649 1/20 0.40
CHRM1 P11229 8/20 0.39
CHRM2 P08172 6/20 0.39
CHRM4 P08173 5/20 0.39
MMP9 P14780 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL4651696 1.00 KCNA5 (0.40) KCNA5KCNK3CHRM1CHRM2CHRM4
SCHEMBL4651408 0.82 NR1H2 (0.41) CHRM1CHRM2CHRM4MEN1ALDH1A1
SCHEMBL4652641 0.82 EPHX2 (0.38) CHRM1CHRM2CHRM4MMP9MEN1
SCHEMBL5121326 0.82 NR1H2 (0.41) CHRM1CHRM2CHRM4MEN1ALDH1A1
SCHEMBL4652861 0.82 EPHX2 (0.38) CHRM1CHRM2CHRM4MMP9MEN1
SCHEMBL2113831 0.82 NR1H2 (0.41) CHRM1CHRM2CHRM4MEN1ALDH1A1
SCHEMBL4651411 0.82 NR1H2 (0.41) CHRM1CHRM2CHRM4MEN1ALDH1A1
SCHEMBL2113457 0.82 EPHX2 (0.38) CHRM1CHRM2CHRM4MMP9MEN1
SCHEMBL4652854 0.81 KDM4E (0.44) CHRM1CHRM2CHRM4MMP9MEN1
SCHEMBL4652856 0.81 KDM4E (0.44) CHRM1CHRM2CHRM4MMP9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 US disclosed
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 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-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 KCNA5 207/4885KCNK3 571/4885CHRM1 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.