SCHEMBL4665870

SCHEMBL4665870

O=C(c1c(C[N+]2([O-])CCOCC2)c(-c2ccccc2)nc2ccccc12)N(Cc1ccccc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.38
KCNH2 Q12809 3/20 0.38
TACR2 P21452 2/20 0.38
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
C5AR1 P21730 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 1/20 0.35
PDE10A Q9Y233 1/20 0.35
AGER Q15109 3/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL4668627 0.92 OPRM1 (0.41) TACR3MEN1KMT2A
SCHEMBL4665287 0.92 FNTA (0.39) TACR3FNTAFNTBLMNAMEN1
SCHEMBL4667024 0.91 AGER (0.40) TACR3TACR2FNTAFNTBLMNA
SCHEMBL4665876 0.88 TACR3 (0.40) TACR3KCNH2TACR2FNTAFNTB
SCHEMBL4665218 0.86 TACR3 (0.44) TACR3KCNH2TACR2LMNA
SCHEMBL4667560 0.84 MEN1 (0.43) TACR3MEN1KMT2AAGERMTNR1A
SCHEMBL4667460 0.83 MEN1 (0.42) TACR3MEN1KMT2AAGERMTNR1A
SCHEMBL4668596 0.81 OPRM1 (0.45) TACR3KCNH2MEN1KMT2A
SCHEMBL4667103 0.79 TSHR (0.47) TACR3KCNH2TACR2LMNAPDE10A
SCHEMBL4667114 0.79 PDE10A (0.42) TACR3FNTAFNTBLMNADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234269-A1 N-Oxo-Heterocycle and N-Oxo-Alkyl Quinoline-4-Carboxamides as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-09-25 US claimed
CN-101268052-A N-oxo-heterocycle and N-oxo-alkyl quinoline-4-carboxamides as NK-3 receptor ligands ASTRAZENECA AB (SE) 2008-09-17 CN claimed
EP-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 EP claimed
WO-2007035156-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed
US-20080234269-A1 N-Oxo-Heterocycle and N-Oxo-Alkyl Quinoline-4-Carboxamides as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-09-25 US disclosed
CN-101268052-A N-oxo-heterocycle and N-oxo-alkyl quinoline-4-carboxamides as NK-3 receptor ligands ASTRAZENECA AB (SE) 2008-09-17 CN disclosed
EP-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 EP disclosed
WO-2007035156-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 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-20080234269-A1 N-Oxo-Heterocycle and N-Oxo-Alkyl Quinoline-4-Carboxamides as Nk-3 Receptor Ligands TACR3, TACR2, KCNA3 TACR3 1/4885KCNH2 36/4885TACR2 2/4885

“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.