SCHEMBL454539

SCHEMBL454539

c1ccc(-c2ccc(N3CC4CC3CN4)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.61
CSNK1E P49674 1/20 0.48

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
SCHEMBL6624686 1.00 CHRNA7 (0.61) CHRNA7CSNK1E
SCHEMBL5354493 0.84 CHRNA7 (0.45) CHRNA7CSNK1E
SCHEMBL1792911 0.84 CHRNA7 (0.48) CHRNA7
SCHEMBL18291307 0.79 CHRNB2 (0.59)
SCHEMBL6625406 0.79 CHRNB2 (0.61)
SCHEMBL2963520 0.79 CHRNB2 (0.61)
SCHEMBL5034127 0.79 CHRNB2 (0.61)
SCHEMBL20038439 0.79 CHRNB2 (0.48)
SCHEMBL18291726 0.79 CHRNB2 (0.59)
Hydrochloric Acid SCHEMBL7250231 0.78 CHRNB2 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619205-B1 MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE ABBVIE BAHAMAS LTD (BS) 2017-05-17 EP disclosed
US-9464078-B2 Monohydrate of azaadamantane derivatives ABBVIE INC. (US) 2016-10-11 US disclosed
US-20150239882-A1 NOVEL MONOHYDRATE OF AZAADAMANTANE DERIVATIVES ABBVIE INC. 2015-08-27 US disclosed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
US-8853241-B2 Biaryl substituted azabicyclic alkane derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2443122-B1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-05 EP disclosed
US-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US disclosed
US-20080262023-A1 Aminomethyl Azaadamantane Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-23 US disclosed
US-20080255180-A1 4-Substituted Azaadamantane Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
US-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-20080167336-A1 Alzheimer's disease; central nervous system disorders; aids; Pick's disease; attention deficit disorder; hyperactivity; Down's syndrome, amytropic lateral sclerosis; Huntington's disease; suppression of smoking; drug abruse; brain disorders; analgesics; antiinflammatory agents ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
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 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 (11 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 CHRNA7 1/4885CSNK1E 1908/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE CHRNA7 2432/4885CSNK1E 1348/4885
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 CHRNA7 2776/4885CSNK1E 3481/4885
US-20080255180-A1 4-Substituted Azaadamantane Derivatives and Methods of Use Thereof UGT1A4, CYP4B1, CYP4A11 CHRNA7 1518/4885CSNK1E 1569/4885
US-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof NAAA, AADAC, CD38 CHRNA7 572/4885CSNK1E 1605/4885
US-20150239882-A1 NOVEL MONOHYDRATE OF AZAADAMANTANE DERIVATIVES ACMSD, IDH3A, CYP51A1 CHRNA7 1533/4885CSNK1E 1563/4885
US-20080167336-A1 Alzheimer's disease; central nervous system disorders; aids; Pick's disease; attention deficit disorder; hyperactivity; Down's syndrome, amytropic lateral sclerosis; Huntington's disease; suppression of smoking; drug abruse; brain disorders; analgesics; antiinflammatory agents HTT, ACHE, CHRNA10 CHRNA7 6/4885CSNK1E 2952/4885
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 1/4885CSNK1E 2258/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 CHRNA7 1034/4885CSNK1E 902/4885
US-20080262023-A1 Aminomethyl Azaadamantane Derivatives and Methods of Use Thereof TET3, DNMT1, TET1 CHRNA7 2401/4885CSNK1E 636/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 CHRNA7 1/4885CSNK1E 1908/4885

“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.