SCHEMBL3020712

SCHEMBL3020712

CCOC1CCC(C)(N2CCC(Nc3cc(F)ccc3O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 11/20 0.43
CHRM5 P08912 11/20 0.43
CHRM1 P11229 11/20 0.43
CHRM3 P20309 10/20 0.43
CHRM2 P08172 9/20 0.43
CCR5 P51681 6/20 0.37
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL3020708 1.00 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3022064 0.92 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3022067 0.92 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL603442 0.88 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3019620 0.88 CHRM4 (0.52) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3019614 0.88 CHRM4 (0.52) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL603443 0.88 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3025630 0.87 CHRM4 (0.46) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3025627 0.87 CHRM4 (0.46) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3020241 0.87 CCR5 (0.44) CHRM4CHRM5CHRM1CHRM3CHRM2

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
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 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-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM4 4/4885CHRM5 3/4885CHRM1 1/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 CHRM4 4/4885CHRM5 3/4885CHRM1 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.