SCHEMBL6300947

SCHEMBL6300947

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
CHRM4 P08173 1/20 0.40
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6295115 0.93 CHRM4 (0.40) DRD2HTR1ACHRM4HTR7
SCHEMBL5563921 0.88 CHRNA7 (0.42) DRD2HTR1APLD2PLD1CHRM4
SCHEMBL5567916 0.88 CHRM4 (0.44) DRD2HTR1AHTR2ADRD3CHRM4
SCHEMBL5563315 0.85 CHRM4 (0.41) CHRM4
SCHEMBL5568456 0.85 HTR2A (0.42) HTR1AHTR2AKDM4E
SCHEMBL5568882 0.84 CHRNA7 (0.45)
SCHEMBL5569059 0.82 CARM1 (0.50) HTR1AHTR7
SCHEMBL5568776 0.81 CHRM4 (0.52) CHRM4KDM4E
SCHEMBL6300712 0.80 DRD2 (0.42) DRD2HTR1ADRD1DRD5HTR2A
SCHEMBL5564099 0.79 CARM1 (0.50) PLD2PLD1

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 DRD2 3536/4885HTR1A 1343/4885DRD1 2657/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR1A 1186/4885DRD1 2426/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR1A 1186/4885DRD1 2426/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR1A 1186/4885DRD1 2426/4885

“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.