SCHEMBL5414261

SCHEMBL5414261

O=C(O)c1c(CN2CCN(CCCO)C(=O)C2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.47
TACR3 P29371 14/20 0.46
KCNH2 Q12809 4/20 0.45
OPRM1 P35372 5/20 0.44
PDE10A Q9Y233 2/20 0.43
LMNA P02545 2/20 0.43
DHODH Q02127 2/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5908752 0.94 TACR2 (0.48) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5448850 0.90 TACR3 (0.49) TACR2TACR3KCNH2OPRM1
SCHEMBL5442117 0.90 TACR3 (0.47) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5908771 0.89 TACR3 (0.50) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5438840 0.89 TACR2 (0.48) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5423565 0.89 DHODH (0.52) PDE10ADHODH
SCHEMBL5418589 0.89 TACR2 (0.47) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL5427501 0.88 KDM4E (0.40) TACR2TACR3KCNH2OPRM1LMNA
SCHEMBL5451916 0.88 TACR3 (0.49) TACR2TACR3KCNH2OPRM1PDE10A
SCHEMBL6361371 0.88 TACR3 (0.51) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-11-08 US disclosed
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists GLAXOSMITHKLINE S.P.A. (IT) 2006-10-12 US disclosed
EP-1659120-A1 3-substituted quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GlaxoSmithKline S.p.A. (IT) 2006-05-24 EP disclosed
US-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-09-16 US disclosed
EP-1385839-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-02-04 EP disclosed
WO-2002083664-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 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 (3 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-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 TACR2 6/4885TACR3 60/4885KCNH2 15/4885
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS KCNK3, KCNJ2, KCNK2 TACR2 12/4885TACR3 19/4885KCNH2 16/4885
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists KCNK3, KCNJ2, KCNK2 TACR2 12/4885TACR3 19/4885KCNH2 16/4885

“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.