SCHEMBL6296208

SCHEMBL6296208

NCC1CCN(CCCOc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.61
DRD2 P14416 4/20 0.61
HTR2A P28223 4/20 0.61
DRD3 P35462 4/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 2/20 0.61
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
SIGMAR1 Q99720 3/20 0.56
TMEM97 Q5BJF2 2/20 0.56
HRH1 P35367 1/20 0.56

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
SCHEMBL8693302 0.93 LTA4H (0.60) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL8689920 0.85 TMEM97 (0.72) HTR1ADRD2HTR2ADRD3HRH3
SCHEMBL7397226 0.85 HRH3 (0.65) HTR1ADRD2HTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL8694237 0.84 TMEM97 (0.70) HTR1ADRD2HTR2ADRD3HRH3
Hydrochloric Acid SCHEMBL8055586 0.84 HRH3 (0.64) HTR1ADRD2HTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL7295872 0.83 TMEM97 (0.69) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL1728918 0.83 USP2 (0.78) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL24324269 0.82 USP2 (0.68) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL5568449 0.82 HTR1A (0.50) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL8690689 0.82 LTA4H (0.57) HTR1ADRD2HTR2ADRD3DRD1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908922-B2 Anticholesterol agents; cardiovascular disorders LES LABORATOIRES SERVIER (FR) 2005-06-21 US disclosed
US-6903103-B2 Linear cyclic ureas LES LABORATORIES SERVIER (FR) 2005-06-07 US disclosed
US-6780868-B2 TREATMENT OF MYOCARDIAL OR PERIPHERAL ISCHAEMIA, CARDIAC INSUFFICIENCY OR PULMONARY ARTERIAL HYPERTENSION LES LABORATOIRES SERVIER (FR) 2004-08-24 US disclosed
US-20030229100-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-11 US disclosed
US-20030225105-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-04 US disclosed
US-20030191132-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-10-09 US disclosed
US-6566364-B2 Isomers, hydrates, solvates and addition salts in treatment of endothelial dysfunction disease such as atherosclerosis, dyslipidaemia; antidiabetic agents; heart transplantation; inhibition of nitrogen monoxide synthase and oxidative stress LES LABORATOIRES SERVIER (FR) 2003-05-20 US disclosed
EP-1113014-A1 Linear or cyclic ureas, a process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-04 EP disclosed
EP-0526342-B1 Isoquinolin-5yl-sulphonamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-12-04 EP disclosed
US-5208243-A Analgesics ADIR ET COMPAGNIE (FR) 1993-05-04 US disclosed
EP-0526342-A1 Isoquinolin-5yl-sulphonamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-03 EP 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 (3 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-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR1A 1186/4885DRD2 3284/4885HTR2A 2171/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR1A 1186/4885DRD2 3284/4885HTR2A 2171/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR1A 1186/4885DRD2 3284/4885HTR2A 2171/4885

“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.