SCHEMBL7225003

SCHEMBL7225003

O=C(O)CCc1cc(CCN2CCC(c3noc4cc(F)ccc34)CC2)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.61
DRD3 P35462 5/20 0.61
TBXAS1 P24557 1/20 0.54
TBXA2R P21731 1/20 0.51
DRD2 P14416 10/20 0.50
HTR7 P34969 9/20 0.50
HTR6 P50406 9/20 0.50

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
SCHEMBL7219560 0.87 TBXAS1 (0.54) HTR2ADRD3TBXAS1TBXA2R
SCHEMBL7218443 0.87 TBXAS1 (0.54) HTR2ADRD3TBXAS1TBXA2R
SCHEMBL7225453 0.84 TBXAS1 (0.53) HTR2ADRD3TBXAS1TBXA2R
SCHEMBL7220140 0.82 TBXAS1 (0.58) HTR2ATBXAS1TBXA2RHTR7HTR6
SCHEMBL7225780 0.81 TBXAS1 (0.58) TBXAS1TBXA2R
SCHEMBL7225898 0.80 TBXAS1 (0.56) TBXAS1TBXA2R
SCHEMBL7218278 0.78 TBXAS1 (0.57) HTR2ATBXAS1TBXA2R
SCHEMBL7218192 0.77 TBXAS1 (0.57) TBXAS1TBXA2R
SCHEMBL7224535 0.77 TBXAS1 (0.58) HTR2ATBXAS1TBXA2R
SCHEMBL7776162 0.77 TBXAS1 (0.72) TBXAS1TBXA2R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545037-B2 Thromboxane A2 (TXA2) receptor and 5HT2 serotonergic receptor antagonists; 3-(6-(((4-chlorophenyl)sulphonyl)amino)-3-((2-(4-methyl-1 -piperazinyl)phenoxy)methyl)-5,6, 7,8-tetrahydro-1-naphthyl)propanoic acid for example LES LABORATOIRES SERVIER (FR) 2003-04-08 US disclosed
US-6469011-B2 NITROGEN OXIDE YIELDING AND THROMBOXANE A2 (TXA2) AND SEROTONIN (5HT2) RECEPTOR ANTAGONIST; TREATMENT OF ATHEROTHROMBOTIC CARDIOVASCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2002-10-22 US disclosed
US-20020137742-A1 Benzenesulfonamide compounds LAVIELLE GILBERT (FR) 2002-09-26 US disclosed
US-20010009915-A1 New benzenesulfonamide compounds 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 (2 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-20010009915-A1 New benzenesulfonamide compounds CNR1, CNR2, HTR1A HTR2A 10/4885DRD3 107/4885TBXAS1 31/4885
US-20020137742-A1 Benzenesulfonamide compounds CNR1, CNR2, HTR1A HTR2A 8/4885DRD3 151/4885TBXAS1 50/4885

“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.