SCHEMBL3025630

SCHEMBL3025630

CCOC1CCC(C)(N2CCC(Nc3cc(F)c(F)cc3O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 12/20 0.46
CHRM5 P08912 12/20 0.46
CHRM1 P11229 12/20 0.46
CHRM3 P20309 11/20 0.46
CHRM2 P08172 10/20 0.46
CCR5 P51681 7/20 0.36
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 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
SCHEMBL3025627 1.00 CHRM4 (0.46) CHRM4CHRM5CHRM1CHRM3CHRM2
Acetic Acid SCHEMBL3016623 0.95 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3CHRM2
Acetic Acid SCHEMBL3016614 0.95 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3017944 0.93 CHRM4 (0.52) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3017941 0.93 CHRM4 (0.52) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3020712 0.87 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3020708 0.87 CHRM4 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL601471 0.87 CHRM4 (0.46) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL601472 0.87 CHRM4 (0.46) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3015697 0.85 CHRM4 (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.