SCHEMBL2123406

SCHEMBL2123406

O=C(O)N1CC2C[C@H]1CN2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.65
CHRNA4 P43681 13/20 0.65
CHRNA3 P32297 4/20 0.65
CHRNB3 Q05901 1/20 0.65
CHRNA6 Q15825 1/20 0.65
CHRNB4 P30926 3/20 0.37
CHRNA7 P36544 3/20 0.37

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
SCHEMBL900113 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL4058865 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL335652 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6339022 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL23410453 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL13518560 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL16212072 0.98 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12356559 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1008776 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13050975 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802539-B1 TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-20 EP disclosed
CN-113365984-A LOX inhibitors 癌症研究协会皇家癌症医院 2021-09-07 CN disclosed
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-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
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
WO-2008079570-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
WO-2008058096-A9 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LAB (US) 2008-06-26 WO disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP disclosed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 WO disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US disclosed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
EP-1144413-B1 2,5-DIAZABICYCLO 2.2.1]HEPTANE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USES SANOFI SYNTHELABO (FR) 2004-03-17 EP disclosed
US-6635645-B1 Nicotinic receptors dysfunction SANOFI-SYNTHELABO (FR) 2003-10-21 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 (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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 CHRNB2 20/4885CHRNA4 7/4885CHRNA3 5/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE CHRNB2 3613/4885CHRNA4 2292/4885CHRNA3 2144/4885
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 CHRNB2 2585/4885CHRNA4 3022/4885CHRNA3 2174/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 CHRNB2 1813/4885CHRNA4 960/4885CHRNA3 954/4885

“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.