SCHEMBL676044

SCHEMBL676044

CN1CC2CN(c3ccc(-c4ccccc4)nn3)CC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 1.00
HTR3A P46098 1/20 1.00
CHRNB4 P30926 1/20 1.00
CHRNA3 P32297 1/20 1.00
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59

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
SCHEMBL14479461 1.00 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL29422976 1.00 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL29366074 1.00 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL18016312 1.00 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL6322692 0.98 CHRNA7 (0.97) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL1790893 0.98 CHRNA7 (0.97) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL928208 0.90 CHRNA7 (0.82) CHRNA7HTR3ACHRNB4CHRNA3
Fumaric Acid SCHEMBL15663041 0.90 CHRNA7 (0.81) CHRNA7HTR3ACHRNB4CHRNA3
Fumaric Acid SCHEMBL15663039 0.90 CHRNA7 (0.81) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL930430 0.87 CHRNA7 (0.76) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145818-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF Poviva Corp. 2021-05-20 US claimed
EP-3781163-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-02-24 EP claimed
EP-3284467-B1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA INC (US) 2019-10-30 EP claimed
WO-2019202396-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF POVIVA TEA, LLC (US) 2019-10-24 WO claimed
EP-3328383-A1 ANTITUSSIVE COMPOSITIONS AND METHODS Attenua, Inc. (US) 2018-06-06 EP claimed
US-9937168-B2 Nicotine-containing pharmaceutical compositions NICONOVUM USA, INC. (US) 2018-04-10 US claimed
EP-3284467-A1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS Niconovum USA, Inc. (US) 2018-02-21 EP claimed
EP-2566476-B1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA INC (US) 2017-11-22 EP claimed
US-20170326138-A1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA, INC. (US) 2017-11-16 US claimed
US-20170273957-A1 ANTITUSSIVE COMPOSITIONS AND METHODS ATTENUA, INC. 2017-09-28 US claimed
US-20110274628-A1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA, INC. 2011-11-10 US claimed
WO-2011139811-A1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA, INC. (US) 2011-11-10 WO claimed
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP claimed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US claimed
CN-101189233-A Substituted diazabicycloalkane derivatives as ligands for the alpha 7 nicotinic acetylcholine receptor ABBOTT LAB (US) 2008-05-28 CN claimed
JP-2007521323-A 2007-08-02 JP claimed
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP claimed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US claimed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO claimed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170273957-A1 ANTITUSSIVE COMPOSITIONS AND METHODS CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885HTR3A 157/4885CHRNB4 15/4885
US-20210145818-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF CHRNA5, SLC18A3, CHRNA6 CHRNA7 12/4885HTR3A 287/4885CHRNB4 11/4885
US-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 CHRNA7 1/4885HTR3A 160/4885CHRNB4 25/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 CHRNA7 1/4885HTR3A 38/4885CHRNB4 15/4885

“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.