SCHEMBL1752849

SCHEMBL1752849

O=C1CCCC(c2ccccc2)=NN1CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 2/20 0.44
DRD2 P14416 4/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
HTR7 P34969 3/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ADRB1 P08588 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA1D P25100 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL1752800 0.92 HTR1A (0.46) HTR1AADRA1AADRA1BDRD2DRD4
SCHEMBL9976237 0.81 HTR1A (0.49) HTR1AADRA1BKMT2ADRD2DRD4
SCHEMBL9041083 0.72 KCNH2 (0.80) HTR1AKCNH2KMT2ADRD2DRD4
SCHEMBL11149657 0.69 KMT2A (0.58) KMT2AMEN1
SCHEMBL11762555 0.69 KCNH2 (0.69) HTR1AKCNH2KMT2ADRD2DRD4
SCHEMBL11400866 0.67 KMT2A (0.56) KMT2AMEN1
SCHEMBL15255355 0.67 CA12 (0.43) KMT2AMEN1
SCHEMBL7657148 0.66 DRD2 (0.78) HTR1AADRA1AADRA1BKCNH2DRD2
SCHEMBL10625887 0.66 PTGS2 (0.55) HTR1AADRA1AADRA1BKCNH2DRD2
SCHEMBL11163923 0.66 KMT2A (0.52) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-9527819-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY 2016-12-27 US disclosed
US-9527819-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY 2016-12-27 US disclosed
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
US-8933076-B2 Pyridazine compounds, compositions and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-01-13 US disclosed
EP-1812408-B1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIV NORTHWESTERN (US) 2013-10-09 EP disclosed
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-08-19 US disclosed
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-08-19 US disclosed
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US disclosed
WO-2008109437-A2 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2008-09-12 WO disclosed
WO-2007130383-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND SECRETASES NORTHWESTERN UNIVERSITY (US) 2007-11-15 WO disclosed
WO-2007127475-A2 PYRIDAZINES FOR DEMYELINATING DISEASES AND NEUROPATHIC PAIN NORTHWESTERN UNIVERSITY (US) 2007-11-08 WO disclosed
WO-2007127474-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2007-11-08 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 (5 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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP HTR1A 908/4885ADRA1A 2505/4885ADRA1B 2572/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 HTR1A 1064/4885ADRA1A 1688/4885ADRA1B 1668/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 HTR1A 800/4885ADRA1A 2375/4885ADRA1B 2381/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 HTR1A 619/4885ADRA1A 1528/4885ADRA1B 1075/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP HTR1A 908/4885ADRA1A 2505/4885ADRA1B 2572/4885

“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.