SCHEMBL4665287

SCHEMBL4665287

O=C(c1c(C[N+]2([O-])CCCC2)c(-c2ccccc2)nc2ccccc12)N(Cc1ccccc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.39
FNTB P49356 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TACR3 P29371 1/20 0.37
DHODH Q02127 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4667024 0.99 AGER (0.40) FNTAFNTBMEN1KMT2AAGER
SCHEMBL4665870 0.92 TACR3 (0.38) FNTAFNTBMEN1KMT2AAGER
SCHEMBL4667560 0.92 MEN1 (0.43) MEN1KMT2AAGERMTNR1ATACR3
SCHEMBL4667460 0.91 MEN1 (0.42) MEN1KMT2AAGERMTNR1ATACR3
SCHEMBL4665876 0.90 TACR3 (0.40) FNTAFNTBLMNATACR3CHRM2
SCHEMBL4667073 0.86 TACR3 (0.40) MEN1KMT2AALDH1A1LMNATACR3
SCHEMBL4665925 0.86 TACR3 (0.40) MEN1KMT2AALDH1A1LMNATACR3
SCHEMBL4668627 0.84 OPRM1 (0.41) MEN1KMT2ATACR3
SCHEMBL4668596 0.83 OPRM1 (0.45) MEN1KMT2ATACR3
SCHEMBL4667114 0.81 PDE10A (0.42) FNTAFNTBLMNATACR3DHODH

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-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
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
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 FNTA 4661/4885FNTB 4529/4885MEN1 1458/4885

“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.