SCHEMBL6853600

SCHEMBL6853600

NS(=O)(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.55
TACR3 P29371 15/20 0.54
KCNH2 Q12809 5/20 0.54
OPRM1 P35372 6/20 0.51
LDHA P00338 1/20 0.49
PDE10A Q9Y233 2/20 0.49
DHODH Q02127 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL6848628 0.87 TACR3 (0.56) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL6853012 0.86 TACR3 (0.64) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5908826 0.85 TACR2 (0.56) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL6848956 0.85 TACR2 (0.61) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5466472 0.84 TACR2 (0.57) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL6853329 0.84 TACR2 (0.57) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5908692 0.84 TACR2 (0.55) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL6855404 0.83 TACR2 (0.54) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5945331 0.83 TACR2 (0.67) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL6851699 0.83 TACR3 (0.67) TACR2TACR3KCNH2OPRM1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US claimed
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 US disclosed
CN-1407850-A Process for converting storage reserves of dicot seeds into compositions comprising one or more gene products UNICROP LTD (FI) 2003-04-02 CN disclosed
CN-1406225-A Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXO SMITHKLINE S P A (IT) 2003-03-26 CN disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 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-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNH2, KCNA6, KCNA3 TACR2 21/4885TACR3 86/4885KCNH2 1/4885

“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.