SCHEMBL4962235

SCHEMBL4962235

CS(=O)(=O)Oc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.70
CYP2C9 P11712 2/20 0.60
TACR2 P21452 1/20 0.54

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
SCHEMBL4962240 1.00 TACR3 (0.70) TACR3CYP2C9TACR2
SCHEMBL4963796 0.91 TACR3 (0.75) TACR3CYP2C9
SCHEMBL4964572 0.91 CYP2C9 (0.75) TACR3CYP2C9
SCHEMBL4964569 0.91 CYP2C9 (0.75) TACR3CYP2C9
SCHEMBL4963792 0.91 TACR3 (0.75) TACR3CYP2C9
SCHEMBL4963815 0.89 TACR3 (0.74) TACR3CYP2C9
SCHEMBL4963805 0.89 TACR3 (0.74) TACR3CYP2C9
SCHEMBL1581361 0.86 TACR3 (0.72) TACR3CYP2C9
SCHEMBL3591373 0.84 TACR3 (0.70) TACR3CYP2C9
SCHEMBL1581428 0.84 TACR3 (0.77) TACR3CYP2C9TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-08-14 US claimed
EP-1896418-A1 QUINOLINE 3 -SULFONATE ESTERS AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-03-12 EP claimed
WO-2006137789-A1 Quinoline 3 -sulfonate esters as NK3 receptor modulators ASTRAZENECA AB (SE) 2006-12-28 WO claimed
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1896418-A1 QUINOLINE 3 -SULFONATE ESTERS AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137789-A1 Quinoline 3 -sulfonate esters as NK3 receptor modulators ASTRAZENECA AB (SE) 2006-12-28 WO 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 (1 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-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators KCNQ3, KCNA3, GPR3 TACR3 9/4885CYP2C9 891/4885TACR2 6/4885

“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.