SCHEMBL598617

SCHEMBL598617

CCCCC1CCN(CCN)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.58
GNAI3 P08754 4/20 0.58
GNAI1 P63096 4/20 0.58
HRH3 Q9Y5N1 2/20 0.48
CYP1A2 P05177 1/20 0.47
CHRM1 P11229 6/20 0.45
CHRM5 P08912 4/20 0.45
CHRM3 P20309 4/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
PRMT3 O60678 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT1 Q99873 1/20 0.45
PRMT8 Q9NR22 1/20 0.45

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
SCHEMBL20374733 0.94 GNAO1 (0.60) GNAO1GNAI3GNAI1HRH3CYP1A2
SCHEMBL24207822 0.88 GNAO1 (0.53) GNAO1GNAI3GNAI1HRH3CHRM1
SCHEMBL5197870 0.86 GNAO1 (0.54) GNAO1GNAI3GNAI1HRH3CYP1A2
SCHEMBL7558440 0.85 GNAO1 (0.55) GNAO1GNAI3GNAI1HRH3CHRM1
SCHEMBL6059146 0.85 GNAO1 (0.54) GNAO1GNAI3GNAI1HRH3CHRM1
SCHEMBL12561560 0.85 GNAO1 (0.50) GNAO1GNAI3GNAI1HRH3CYP1A2
SCHEMBL9823958 0.83 GNAO1 (0.47) GNAO1GNAI3GNAI1HRH3CHRM1
SCHEMBL9824478 0.82 GNAO1 (0.46) GNAO1GNAI3GNAI1HRH3CHRM1
SCHEMBL17424060 0.82 GNAO1 (0.59) GNAO1GNAI3GNAI1HRH3CYP1A2
SCHEMBL11410375 0.81 ALOX15 (0.55) GNAO1GNAI3GNAI1CHRM1PRMT3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP claimed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
CN-1814596-A Muscarinic agonists ARCADIA PHARMACEUTICALS INC (US) 2006-08-09 CN disclosed
CN-1249051-C Muscarinic agonists ACADIA PHARM INC (US) 2006-04-05 CN disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
CN-1439002-A Muscarinic agonists ACADIA PHARM INC (US) 2003-08-27 CN disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 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 (3 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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C GNAO1 301/4885GNAI3 886/4885GNAI1 1022/4885
US-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 GNAO1 303/4885GNAI3 1568/4885GNAI1 1313/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 GNAO1 303/4885GNAI3 1568/4885GNAI1 1313/4885

“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.