SCHEMBL4647520

SCHEMBL4647520

Cc1cc2c(cc1C#N)[nH]c(=O)n2C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.46
CHRM1 P11229 5/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM3 P20309 3/20 0.45
KCNH2 Q12809 2/20 0.45
TNKS O95271 8/20 0.44
TNKS2 Q9H2K2 2/20 0.44
CYP3A4 P08684 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
OPRM1 P35372 2/20 0.39

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
SCHEMBL602399 0.85 CHRM2 (0.51) PGRCHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL16876873 0.84 TNKS (0.55) PGRCHRM1CHRM2CHRM4CHRM5
SCHEMBL4903078 0.81 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4647996 0.81 CHRM1 (0.65) PGRCHRM1CHRM2CHRM4CHRM5
SCHEMBL4647304 0.81 CHRM2 (0.47) PGRCHRM1CHRM2CHRM4CHRM5
SCHEMBL4649346 0.81 OPRM1 (0.49) PGRCHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4648710 0.80 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4646510 0.80 CCR5 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL4749717 0.80 OPRM1 (0.48) PGRCHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL4749245 0.80 CHRM1 (0.64) PGRCHRM1CHRM2CHRM4CHRM5

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 9 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
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP 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
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 PGR 807/4885CHRM1 1/4885CHRM2 2/4885

“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.