SCHEMBL244511

SCHEMBL244511

O=[N+]([O-])c1cnc(N2CCN3CCC2CC3)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 4/20 0.36
HTR3A P46098 4/20 0.36
CHRNA7 P36544 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1782288 0.91 MAPT (0.38) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3242803 0.81 MAPT (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL504169 0.76 HTR3A (0.52) KCNH2HTR3ACHRNA7
SCHEMBL503793 0.76 CHRNA7 (0.40) KCNH2HTR3ACHRNA7
SCHEMBL235246 0.76 HTR3A (0.52) KCNH2HTR3ACHRNA7
SCHEMBL2537629 0.75 POLB (0.49) MAPTALDH1A1KCNH2CHRNA7
SCHEMBL26151977 0.75 MAPT (0.48) MAPTALDH1A1LMNAALOX12NPSR1
Hydrochloric Acid SCHEMBL3756715 0.74 CHRNA7 (0.40) KCNH2HTR3ACHRNA7
Fluoride SCHEMBL2534999 0.74 POLB (0.47) MAPTALDH1A1KCNH2CHRNA7
SCHEMBL246223 0.73 MEN1 (0.51) MAPTALDH1A1CYP1A2CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8148365-B2 1,4-diaza-bicyclo[3.2.2]nonyl pyrimidinyl derivative and its medical use NEUROSEARCH A/S (DK) 2012-04-03 US disclosed
US-20120004215-A1 N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
EP-2029595-B1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVE AND ITS MEDICAL USE NEUROSEARCH AS (DK) 2011-09-21 EP disclosed
US-7935695-B2 1,4-diaza-bicyclo[3.2.2]nonyl heteroaryl derivatives useful as nicotinic acetylcholine receptor ligands NEUROSEARCH A/S (DK) 2011-05-03 US disclosed
US-7915272-B2 1,4-diaza-bicyclo[3.2.2]nonyl pyrimidinyl derivative and its medical use NEUROSEARCH A/S (DK) 2011-03-29 US disclosed
US-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
US-20100305108-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-12-02 US disclosed
US-20100298307-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-11-25 US disclosed
WO-2009062989-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-05-22 WO disclosed
WO-2009062988-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-05-22 WO disclosed
WO-2009062987-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-05-22 WO disclosed
EP-2049538-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2009-04-22 EP disclosed
EP-2041134-A1 NOVEL 1,4-DIAZA-BICYCLOÝ3.2.2¨NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-04-01 EP disclosed
EP-2029595-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVE AND ITS MEDICAL USE NeuroSearch A/S (DK) 2009-03-04 EP disclosed
WO-2009024517-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL HETEROARYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2009-02-26 WO disclosed
WO-2007138039-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 WO disclosed
WO-2007138041-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVE AND ITS MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 WO disclosed
WO-2007138040-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVE AND ITS MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 WO 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-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA2 MAPT 1315/4885ALDH1A1 701/4885LMNA 2707/4885
US-20100305108-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA4 MAPT 1099/4885ALDH1A1 1211/4885LMNA 3177/4885
US-20100298307-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA2 MAPT 1315/4885ALDH1A1 701/4885LMNA 2707/4885
US-20120004215-A1 N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA5, CHRNA6, CHRNA10 MAPT 1610/4885ALDH1A1 1493/4885LMNA 2921/4885

“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.