SCHEMBL8058738

SCHEMBL8058738

N#Cc1ccc2oc(=O)n(C3CCCCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.56
CHRM4 P08173 3/20 0.56
CHRM5 P08912 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM3 P20309 3/20 0.56
KMO O15229 1/20 0.47
CDY1; CDY1B Q9Y6F8 3/20 0.41
PGR P06401 2/20 0.40
PRKDC P78527 3/20 0.39
PIK3CA P42336 2/20 0.39
CBX7 O95931 2/20 0.39
CDYL2 Q8N8U2 2/20 0.39
MTOR P42345 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CDYL Q9Y232 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL8067487 0.88 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL2219338 0.87 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13215656 0.78 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2220699 0.77 CHRM4 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2218018 0.77 CHRM4 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2218014 0.77 CHRM4 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12439335 0.77 CHRM4 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2223654 0.77 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL2217254 0.76 CHRM4 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL2217251 0.76 CHRM4 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3

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 4 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-20110178131-A1 Compounds Which Have Activity At M1 Receptor And Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
WO-2009037296-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-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 CHRM2 2/4885CHRM4 4/4885CHRM5 3/4885
US-20110178131-A1 Compounds Which Have Activity At M1 Receptor And Their Uses In Medicine CHRM1, CHRM2, CHRM5 CHRM2 2/4885CHRM4 4/4885CHRM5 3/4885

“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.