SCHEMBL2110123

SCHEMBL2110123

[CH2]c1ccccc1N1CCNCC1CC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
HTR2C P28335 12/20 0.43
HTR2B P41595 9/20 0.42
HTR2A P28223 6/20 0.40
ADRB1 P08588 1/20 0.38

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
SCHEMBL11630301 0.82 ADRB1 (0.51) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL8588163 0.82 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL2459314 0.81 HTR2C (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL7149297 0.80 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HTR2CADRB1
SCHEMBL9275979 0.79 HTR2A (0.53) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL2463339 0.78 HTR2C (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL2108563 0.77 AR (0.49)
SCHEMBL5632196 0.77 HTR2C (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL5633037 0.77 HTR2C (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL5632688 0.77 HTR2C (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

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-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-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-2592075-A1 Pyridazine compounds for the treatment of inflammatory diseases Northwestern University (US) 2013-05-15 EP 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-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
EP-2131839-A2 COMPOSITIONS COMPRISING DERIVATIVES OF 3-PHENYLPYRIDAZINE FOR TREATING SEIZURE-RELATED DISORDERS Northwestern University (US) 2009-12-16 EP 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
EP-2015750-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS Northwestern University (US) 2009-01-21 EP 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
EP-1812408-A2 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS Northwestern University (US) 2007-08-01 EP disclosed
WO-2006050389-A2 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2006-05-11 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 (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 SLC6A2 3287/4885SLC6A4 3441/4885SLC6A3 3592/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 SLC6A2 1190/4885SLC6A4 2183/4885SLC6A3 2101/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 SLC6A2 1190/4885SLC6A4 2183/4885SLC6A3 2101/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 SLC6A2 2936/4885SLC6A4 3081/4885SLC6A3 3306/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP SLC6A2 3235/4885SLC6A4 3413/4885SLC6A3 3549/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP SLC6A2 3287/4885SLC6A4 3441/4885SLC6A3 3592/4885

“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.