SCHEMBL4132043

SCHEMBL4132043

N[C@H]1CC[C@H](CN2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.67
ADRA2C P18825 1/20 0.67
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HRH1 P35367 1/20 0.37
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 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
SCHEMBL4132048 1.00 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL16271017 1.00 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL28416577 0.98 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL861535 0.98 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL2681656 0.98 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL861534 0.98 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL14634437 0.95 CHRM5 (0.60) CHRM5ADRA2CACHESMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL15190826 0.95 CHRM5 (0.60) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL3811966 0.93 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL3811970 0.93 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2HRH3

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
WO-2009071519-A9 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-03 WO disclosed
WO-2009071519-A9 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-03 WO disclosed
WO-2009071519-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
WO-2009071519-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
EP-1727812-B1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2008-12-31 EP disclosed
US-7262206-B2 Cycloalkyl—containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-28 US disclosed
EP-1727812-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
WO-2005087761-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US 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-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 CHRM5 2081/4885ADRA2C 366/4885ACHE 1136/4885

“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.