SCHEMBL5454425

SCHEMBL5454425

O=C(O)c1c(CN2CCn3cccc3C2=O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.45
PDE10A Q9Y233 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
TACR3 P29371 10/20 0.43
TACR2 P21452 8/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 4/20 0.40
KCNH2 Q12809 3/20 0.40

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
SCHEMBL5454432 0.88 DHODH (0.54) DHODHPDE10A
SCHEMBL6199375 0.78 TACR2 (0.50) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5436914 0.77 DHODH (0.50) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4884299 0.77 DHODH (0.50) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5486956 0.75 DHODH (0.58) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5435657 0.74 TACR3 (0.49) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6222134 0.74 TACR2 (0.55) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6202180 0.74 LMNA (0.50) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6853012 0.73 TACR3 (0.64) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5445446 0.73 TACR2 (0.52) DHODHPDE10ALMNATSHRPOLB

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
EP-1377567-B1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2005-12-21 EP claimed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
EP-1377567-B1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2005-12-21 EP disclosed
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXOSMITHKLINE SPA 2005-08-11 US disclosed
US-20040152726-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
EP-1377567-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083663-A1 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-20040152726-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists KCNH2, KCNH3, KCNJ8 DHODH 2299/4885PDE10A 4106/4885LMNA 3613/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 DHODH 2505/4885PDE10A 2668/4885LMNA 2768/4885
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNQ3, KCNK3, KCNK2 DHODH 2505/4885PDE10A 2668/4885LMNA 2768/4885

“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.