SCHEMBL6300842

SCHEMBL6300842

O=C(N1CCN(CCOc2ccc(F)cc2)CC1)N1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.53
DRD3 P35462 4/20 0.52
DRD2 P14416 2/20 0.52
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR5A P47898 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6294864 0.95 HTR5A (0.57) DRD3DRD2MEN1ALDH1A1GAA
SCHEMBL5564121 0.81 NPC1 (0.56) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL3972559 0.76 KCNA5 (0.64) KCNA5DRD3DRD2ALDH1A1HTR1A
SCHEMBL9809263 0.74 USP2 (0.72) KCNA5DRD3DRD2MEN1ALDH1A1
SCHEMBL1730306 0.74 LTA4H (0.77) KCNA5DRD3DRD2MEN1ALDH1A1
SCHEMBL6294847 0.74 LMNA (0.48) KCNA5DRD3DRD2ALDH1A1HTR2B
SCHEMBL6300800 0.74 LMNA (0.47) MEN1ALDH1A1GAAKMT2AHTR5A
SCHEMBL9809294 0.73 HRH1 (0.64) DRD3DRD2MEN1ALDH1A1KMT2A
SCHEMBL3871235 0.72 CACNA2D1 (0.60) KCNA5DRD3DRD2MAPTPOLB
SCHEMBL2158003 0.72 GFER (0.61) KCNA5DRD3DRD2MEN1ALDH1A1

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 9 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
US-20010009911-A1 New linear or cyclic ureas LES LABORATOIRES SERVIER (FR) 2001-07-26 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

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-20010009911-A1 New linear or cyclic ureas GUCY1B1, UACA, LIPG KCNA5 1173/4885DRD3 2304/4885DRD2 3536/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 KCNA5 1362/4885DRD3 2124/4885DRD2 3284/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 KCNA5 1362/4885DRD3 2124/4885DRD2 3284/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 KCNA5 1362/4885DRD3 2124/4885DRD2 3284/4885

“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.