SCHEMBL4648728

SCHEMBL4648728

Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2(C#N)CCOCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.66
CHRM2 P08172 5/20 0.66
CHRM4 P08173 5/20 0.66
CHRM5 P08912 4/20 0.66
CHRM3 P20309 4/20 0.66
KCNH2 Q12809 2/20 0.66
HSD11B1 P28845 1/20 0.40
OPRM1 P35372 4/20 0.40
TNKS O95271 2/20 0.39
CYP3A4 P08684 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CTSS P25774 1/20 0.37
PGR P06401 2/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL4646442 0.88 CHRM1 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4906039 0.86 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3390399 0.85 CHRM1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4648675 0.85 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11923098 0.85 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4635492 0.84 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4749236 0.83 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4749545 0.82 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1943328 0.82 CHRM4 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4647787 0.80 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM2 2/4885CHRM4 4/4885

“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.