SCHEMBL1753079

SCHEMBL1753079

Cc1cc(NCCN2CCOCC2)nnc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 1.00
CYP3A4 P08684 5/20 0.61
ACHE P22303 3/20 0.61
CYP1A2 P05177 3/20 0.61
LMNA P02545 2/20 0.61
CYP2D6 P10635 2/20 0.61
CNR1 P21554 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
USP2 O75604 1/20 0.58
THRB P10828 1/20 0.58
BCHE P06276 1/20 0.54
TSHR P16473 2/20 0.54
HIF1A Q16665 2/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL1752826 0.86 CHRM1 (0.76) CHRM1CYP3A4ACHECYP1A2LMNA
SCHEMBL1752983 0.85 CHRM1 (0.73) CHRM1ACHEBCHEHSD17B10
SCHEMBL1753223 0.82 CHRM1 (0.69) CHRM1CYP3A4ACHECYP1A2LMNA
SCHEMBL1753119 0.82 CHRM1 (0.69) CHRM1CYP3A4ACHECYP1A2LMNA
SCHEMBL10919446 0.79 CHRM1 (0.65) CHRM1CYP3A4ACHECYP1A2LMNA
SCHEMBL1753009 0.78 NPC1 (0.77) CHRM1CYP3A4ACHECYP1A2LMNA
SCHEMBL8691758 0.77 CHRM1 (0.63) CHRM1CYP3A4ACHECYP1A2LMNA
SCHEMBL390113 0.76 CHRM1 (0.61) CHRM1CYP3A4ACHECYP1A2LMNA
Minaprine SCHEMBL49371 0.76 ACHE (1.00) CHRM1CYP3A4ACHECYP1A2LMNA
SCHEMBL15581731 0.76 TLR9 (0.63) CHRM1CYP3A4ACHECYP1A2LMNA

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 21 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-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US 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-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
US-5081119-A Muscarinic antagonists, dememtia, Alzheimer,s SANOFI (FR) 1992-01-14 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 (6 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 CHRM1 750/4885CYP3A4 963/4885ACHE 178/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 CHRM1 65/4885CYP3A4 1770/4885ACHE 1/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 CHRM1 718/4885CYP3A4 1218/4885ACHE 214/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP CHRM1 717/4885CYP3A4 979/4885ACHE 172/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 CHRM1 42/4885CYP3A4 344/4885ACHE 225/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP CHRM1 750/4885CYP3A4 963/4885ACHE 178/4885

“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.