SCHEMBL6295115

SCHEMBL6295115

O=C(NCCN1CCC(CCOc2ccc(F)cc2)CC1)n1ccc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.40
FGFR1 P11362 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR3 P51677 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
SSTR4 P31391 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL6300947 0.93 DRD2 (0.42) CHRM4HTR1ADRD2HTR7
SCHEMBL5563921 0.93 CHRNA7 (0.42) CHRM4TDP1CCR3HTR1ADRD2
SCHEMBL5567916 0.91 CHRM4 (0.44) CHRM4HTR1ADRD2CACNA1G
SCHEMBL5568882 0.91 CHRNA7 (0.45)
SCHEMBL5563315 0.89 CHRM4 (0.41) CHRM4FGFR1TDP1
SCHEMBL5568456 0.88 HTR2A (0.42) FGFR1CCR3HTR1A
SCHEMBL5564099 0.85 CARM1 (0.50)
SCHEMBL5568776 0.84 CHRM4 (0.52) CHRM4
SCHEMBL5563582 0.81 CARM1 (0.47)
SCHEMBL5569587 0.79 CHRNA7 (0.49) CCR3HTR1A

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 8 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

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 CHRM4 929/4885FGFR1 554/4885TDP1 1887/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 CHRM4 1108/4885FGFR1 490/4885TDP1 1962/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 CHRM4 1108/4885FGFR1 490/4885TDP1 1962/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 CHRM4 1108/4885FGFR1 490/4885TDP1 1962/4885

“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.