SCHEMBL6300800

SCHEMBL6300800

O=C(NCCN1CCC(CCOc2ccc(F)cc2)CC1)N1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM4 P08173 1/20 0.44
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR5A P47898 1/20 0.42
CACNA1G O43497 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL6300942 0.91 GPR119 (0.44) LMNACCR3
SCHEMBL5563471 0.91 MAPT (0.48) LMNAMAPTNPSR1MEN1ALDH1A1
SCHEMBL5564152 0.89 GPR119 (0.42) LMNACHRM4
SCHEMBL6300712 0.88 DRD2 (0.42) CHRM4
SCHEMBL5564143 0.85 NAMPT (0.51) CHRM4HTR5A
SCHEMBL5569069 0.85 SIGMAR1 (0.43) LMNAMAPTNPSR1MEN1ALDH1A1
SCHEMBL5565616 0.83 CARM1 (0.56) LMNAMAPTNPSR1ALDH1A1
SCHEMBL5564121 0.81 NPC1 (0.56)
SCHEMBL5569099 0.80 CARM1 (0.50) LMNAMAPTNPSR1CCR3
SCHEMBL5568467 0.80 CARM1 (0.50) LMNACCR3

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 LMNA 926/4885MAPT 2411/4885NPSR1 2741/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 LMNA 866/4885MAPT 2801/4885NPSR1 2832/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 LMNA 866/4885MAPT 2801/4885NPSR1 2832/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 LMNA 866/4885MAPT 2801/4885NPSR1 2832/4885

“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.