SCHEMBL450695

SCHEMBL450695

O=C(O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)nn1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.67
KCNH2 Q12809 6/20 0.46
HTR3A P46098 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL450697 1.00 CHRNA7 (0.67) CHRNA7KCNH2HTR3ACHRNB4CHRNA3
SCHEMBL450696 1.00 CHRNA7 (0.67) CHRNA7KCNH2HTR3ACHRNB4CHRNA3
SCHEMBL6625316 1.00 CHRNA7 (0.67) CHRNA7KCNH2HTR3ACHRNB4CHRNA3
SCHEMBL1761440 0.84 CHRNA7 (0.60) CHRNA7KCNH2
SCHEMBL6627648 0.80 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL5038489 0.80 LMNA (0.45) CHRNA7KCNH2
SCHEMBL4109513 0.80 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL4109510 0.80 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL4109514 0.80 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL6626087 0.80 LMNA (0.45) CHRNA7KCNH2

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 44 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
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP 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
EP-2505588-B1 process for preparing AMINOMETHYL AZAADAMANTANE DERIVATIVES as SELECTIVE MODULATORS OF THE ALPHA7- NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR (NNRS) ABBVIE INC (US) 2013-11-13 EP disclosed
EP-2129673-B1 AMIMOMETHYL AZAADAMANTANE DERIVATIVES AND USE THEREOF AS SELECTIVE MODULATORS OF THE ALPHA7- NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR (NNRS) ABBVIE INC (US) 2013-11-06 EP disclosed
EP-2619205-A1 MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE AbbVie Inc. (US) 2013-07-31 EP disclosed
EP-2069346-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-06-17 EP disclosed
WO-2009067586-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
US-20080262023-A1 Aminomethyl Azaadamantane Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-23 US disclosed
US-20080255178-A1 Azaadamantane Ester and Carbamate Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
US-20080255180-A1 4-Substituted Azaadamantane Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
WO-2008118743-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 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

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

For each of this compound's patents that has machine-readable text (7 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 1/4885KCNH2 1346/4885HTR3A 173/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE CHRNA7 2432/4885KCNH2 1014/4885HTR3A 1498/4885
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885HTR3A 2305/4885
US-20080255178-A1 Azaadamantane Ester and Carbamate Derivatives and Methods of Use Thereof CYP51A1, ALKBH5, AZI2 CHRNA7 367/4885KCNH2 2406/4885HTR3A 1358/4885
US-20080255180-A1 4-Substituted Azaadamantane Derivatives and Methods of Use Thereof UGT1A4, CYP4B1, CYP4A11 CHRNA7 1518/4885KCNH2 2951/4885HTR3A 383/4885
US-20080262023-A1 Aminomethyl Azaadamantane Derivatives and Methods of Use Thereof TET3, DNMT1, TET1 CHRNA7 2401/4885KCNH2 4083/4885HTR3A 915/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 CHRNA7 1/4885KCNH2 1346/4885HTR3A 173/4885

“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.