SCHEMBL5459898

SCHEMBL5459898

O=C(O)c1c(CN2CCN(C(=O)CCN3CCCC3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.53
TACR3 P29371 15/20 0.53
KCNH2 Q12809 3/20 0.52
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
OPRM1 P35372 5/20 0.49
TRPV4 Q9HBA0 2/20 0.47
HTR7 P34969 1/20 0.46

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
SCHEMBL5462467 0.99 TACR3 (0.55) TACR2TACR3KCNH2BCHEACHE
SCHEMBL6851642 0.91 TACR3 (0.54) TACR2TACR3KCNH2OPRM1HTR7
SCHEMBL5461424 0.89 TACR2 (0.53) TACR2TACR3KCNH2OPRM1
SCHEMBL6853329 0.84 TACR2 (0.57) TACR2TACR3KCNH2OPRM1
SCHEMBL6853049 0.84 TACR3 (0.58) TACR2TACR3KCNH2OPRM1
SCHEMBL6853022 0.83 TACR3 (0.51) TACR2TACR3KCNH2OPRM1
SCHEMBL5455427 0.83 TACR2 (0.53) TACR2TACR3KCNH2OPRM1
SCHEMBL6851699 0.83 TACR3 (0.67) TACR2TACR3KCNH2OPRM1
SCHEMBL6266946 0.83 TACR2 (0.59) TACR2TACR3KCNH2OPRM1
SCHEMBL6853307 0.82 TACR3 (0.54) TACR2TACR3KCNH2OPRM1

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-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2007-01-18 US disclosed
US-20040082589-A1 Quinoline derivatives as nk-3 and nk-2 antagonists GLAXOSMITHKLINE S.P.A. (IT) 2004-04-29 US disclosed
EP-1334089-A1 QUINOLINE DERIVATIVES AS NK-3 AND NK-2 ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-08-13 EP disclosed
WO-2002038547-A1 QUINOLINE DERIVATIVES AS NK-3 AND NK-2 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-05-16 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 (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-20040082589-A1 Quinoline derivatives as nk-3 and nk-2 antagonists KCNH3, KCNH2, KCNK3 TACR2 24/4885TACR3 84/4885KCNH2 2/4885
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists KCNK3, KCNQ3, ACKR3 TACR2 16/4885TACR3 41/4885KCNH2 9/4885

“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.