SCHEMBL6300712

SCHEMBL6300712

O=C(NCCN1CCC(CCOc2ccc(F)cc2)CC1)N1CCc2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR2A P28223 2/20 0.42
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
CHRM4 P08173 1/20 0.40
HTR2C P28335 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD4 P21917 1/20 0.39
NOTUM Q6P988 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
SCHEMBL6300800 0.88 LMNA (0.47) CHRM4
SCHEMBL6300942 0.88 GPR119 (0.44) DRD2TDP1NOTUM
SCHEMBL5564152 0.87 GPR119 (0.42) CHRM4TDP1
SCHEMBL5570341 0.82 CARM1 (0.50) DRD2HTR2AHTR1ACHRM4HTR2C
SCHEMBL5569069 0.82 SIGMAR1 (0.43) DRD2HTR2CTDP1DRD4
SCHEMBL6300947 0.80 DRD2 (0.42) DRD2HTR2AHTR1ADRD1DRD5
SCHEMBL5569099 0.79 CARM1 (0.50) HTR2AHTR2C
SCHEMBL6642701 0.79 DRD2 (0.40) DRD2HTR2AHTR1ADRD1DRD5
SCHEMBL5563471 0.79 MAPT (0.48)
SCHEMBL5564143 0.77 NAMPT (0.51) CHRM4

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 3536/4885HTR2A 2477/4885HTR1A 1343/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR2A 2171/4885HTR1A 1186/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR2A 2171/4885HTR1A 1186/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 DRD2 3284/4885HTR2A 2171/4885HTR1A 1186/4885

“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.