SCHEMBL231365

SCHEMBL231365

ON=C1CN2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.42
CHRM2 P08172 12/20 0.42
CHRM3 P20309 5/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL7811397 1.00 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL231364 1.00 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6169933 0.98 ALDH1A1 (0.43) CHRM1CHRM2CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7701666 0.98 ALDH1A1 (0.43) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL14033267 0.92 CHRM1 (0.39) CHRM1CHRM2CHRM3CHRNB2CHRNA4
Carbamic Acid SCHEMBL7831823 0.88 ALDH1A1 (0.42) CHRM1CHRM2CHRM3CHRNB2CHRNA4
Carbamic Acid SCHEMBL7831819 0.88 ALDH1A1 (0.42) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL14033833 0.86 CHRM2 (0.33) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL7811134 0.86
SCHEMBL7818558 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789971-A Preparation method and application of normal-temperature self-healing antifouling resin containing double antifouling factors 浙江省海洋开发研究院 2023-09-22 CN claimed
EP-2209783-B1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2016-03-16 EP disclosed
US-8986654-B2 Labelled and un-labelled methyl-pyrrolyl-oxadiazolyl-diazabicyclononane derivatives and their medical use DANPET AB (SE) 2015-03-24 US disclosed
US-8946412-B2 Diazabicyclononyl oxadiazole compounds and their use as nicotinic acetylcholine receptor modulators DANPET AB (SE) 2015-02-03 US disclosed
US-8778928-B2 Indolyl-oxadiazolyl-diazabicyclononane derivatives and their medical and diagnostical use DANPET AB (SE) 2014-07-15 US disclosed
US-20140030190-A1 LABELLED AND UN-LABELLED METHYL-PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE DANPET AB (SE) 2014-01-30 US disclosed
US-8372832-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use NEUROSEARCH A/S (DK) 2013-02-12 US disclosed
US-20130004428-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2013-01-03 US disclosed
US-8343960-B2 1,4-diaza-bicyclo[3.2.2]nonyl pyrimidine derivatives and their medical use NEUROSEARCH A/S (DK) 2013-01-01 US disclosed
US-20120288443-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2012-11-15 US disclosed
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 US disclosed
WO-2004043960-A1 1,4-DIAZABICYCLO (3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2004-05-27 WO disclosed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 WO disclosed
EP-1211940-A1 AZABICYCLO AND AZACYCLO OXIME AND AMINE COMPOUNDS AS PESTICIDES Aventis CropScience GmbH (DE) 2002-06-12 EP disclosed
EP-0764165-B1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER LAMBERT CO (US) 2001-11-07 EP disclosed
WO-2001015532-A1 AZABICYCLO AND AZACYCLO OXIME AND AMINE COMPOUNDS AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-03-08 WO disclosed
US-5679673-A ANTICERBERAL ISCHEMIA, ANTIPSYCHOTIC AND ANTICONVULSION AGENT THE UNITED STATES OF AMERICA, REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-10-21 US disclosed
EP-0764165-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1997-03-26 EP disclosed
WO-1995034562-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1995-12-21 WO disclosed
US-4675326-A MONO AND BIS-PYRIDINIUM OXIMES FOR ORGANOPHOSPHOROUS AND CARB AMATE POISONING STATE OF ISRAEL, PRIME MINISTERS OFFICE, ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 1987-06-23 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-20120288443-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS GRM3, SSTR3, OXGR1 CHRM1 1301/4885CHRM2 1359/4885CHRM3 500/4885
US-20140030190-A1 LABELLED AND UN-LABELLED METHYL-PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE GRM3, CNR1, CNR2 CHRM1 275/4885CHRM2 318/4885CHRM3 162/4885
US-20130004428-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA1, CHRNA5 CHRM1 27/4885CHRM2 34/4885CHRM3 19/4885
US-20040127491-A1 Novel diazabicyclic biaryl derivatives CHRNA6, CHRNA3, CHRNA2 CHRM1 47/4885CHRM2 24/4885CHRM3 16/4885

“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.