SCHEMBL563307

SCHEMBL563307

CCN1CCc2nc(N)sc2CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.79
RECQL P46063 1/20 0.79
DRD2 P14416 7/20 0.65
DRD3 P35462 7/20 0.65
ADRA2A P08913 3/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 2/20 0.65
ADRA2B P18089 2/20 0.65
ADRA2C P18825 2/20 0.65
HTR2A P28223 2/20 0.65
ADRA1A P35348 2/20 0.65
HRH1 P35367 2/20 0.65
OPRK1 P41145 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
KCNH2 Q12809 1/20 0.54
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CYP3A4 P08684 1/20 0.49

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
Hydrochloric Acid SCHEMBL10652670 0.98 RAD52 (0.77) RAD52RECQLDRD2DRD3ADRA2A
SCHEMBL3590422 0.88 RAD52 (1.00) RAD52RECQLDRD2DRD3ADRA2A
Hydrochloric Acid SCHEMBL10657526 0.85 RAD52 (0.63) RAD52RECQLDRD2DRD3ADRA2A
SCHEMBL4628121 0.83 DRD3 (0.63) RAD52RECQLDRD2DRD3ADRA2A
SCHEMBL3312231 0.80 DRD2 (0.57) RAD52RECQLDRD2DRD3ADRA2A
SCHEMBL7291516 0.79 DRD2 (0.60) RAD52RECQLDRD2DRD3ADRA2A
Hydrochloric Acid SCHEMBL11395621 0.79 MAPT (0.62) RAD52RECQLDRD2DRD3ADRA2A
Talipexole SCHEMBL49817 0.79 DRD2 (1.00) RAD52RECQLDRD2DRD3ADRA2A
Talipexole SCHEMBL5605621 0.79 DRD2 (1.00) RAD52RECQLDRD2DRD3ADRA2A
SCHEMBL17591539 0.78 DRD3 (0.58) RAD52RECQLDRD2DRD3ADRA2A

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
US-5281591-A Administering amidoimido ester or thioamidoimido ester derivative ALLERGAN, INC. (US) 1994-01-25 US claimed
WO-1992021349-A1 COMBINATIONS OF ALPHA-2 ADRENERGIC AGONISTS WITH ALPHA-3 ANTAGONISTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 1992-12-10 WO claimed
EP-0399791-A1 Combinations of selective alpha-adrenergic agonists and antagonists useful in lowering intraocular pressure ALLERGAN, INC (US) 1990-11-28 EP claimed
JP-3020219-A None JP disclosed
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
US-8067414-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX S.A. (FR) 2011-11-29 US disclosed
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2010-09-23 US disclosed
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 US disclosed
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use NITROMED, INC. (US) 2009-01-08 US disclosed
EP-2007705-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-12-31 EP disclosed
EP-1846380-A1 CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-10-24 EP disclosed
EP-1814535-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISORDERS Nitromed, Inc. (US) 2007-08-08 EP disclosed
WO-2006102071-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-28 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
WO-2006093864-A1 CARDIOVASCULAR COMPOUNDS COMPRISING NITRIC OXIDE ENHANCING GROUPS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-08 WO disclosed
WO-2006078995-A1 CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-07-27 WO disclosed
WO-2006052899-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISORDERS NITROMED, INC. (US) 2006-05-18 WO disclosed
JP-H0320219-A COMBINATION OF SELECTIVE ALPHA-ADRENERGIC AGONIST AND ANTAGONIST USEFUL IN LOWERING INTRAOCULAR PRESSURE ALLERGAN INC 1991-01-29 JP disclosed
JP-H00320219-A 0001-01-01 JP 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-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 RAD52 2912/4885RECQL 1857/4885DRD2 3220/4885
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, NOS1 RAD52 2851/4885RECQL 1932/4885DRD2 2155/4885
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use REN, EDNRB, ECE1 RAD52 4403/4885RECQL 2605/4885DRD2 3701/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 RAD52 3843/4885RECQL 1551/4885DRD2 2060/4885

“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.