SCHEMBL4668596

SCHEMBL4668596

CN1CC[N+]([O-])(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N(Cc2cccc(F)c2)C2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.45
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TACR3 P29371 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 2/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4665876 0.92 TACR3 (0.40) OPRM1TACR3KCNH2
SCHEMBL4667560 0.91 MEN1 (0.43) OPRM1TMEM97SIGMAR1TACR3MEN1
SCHEMBL4667460 0.91 MEN1 (0.42) OPRM1TMEM97SIGMAR1TACR3MEN1
SCHEMBL4668627 0.89 OPRM1 (0.41) OPRM1TMEM97SIGMAR1TACR3MEN1
SCHEMBL4665287 0.83 FNTA (0.39) TACR3MEN1KMT2A
SCHEMBL4667024 0.82 AGER (0.40) OPRM1TACR3MEN1KMT2A
SCHEMBL4667529 0.82 TRPV4 (0.49) OPRM1TMEM97SIGMAR1TACR3MEN1
SCHEMBL4667068 0.82 TACR3 (0.41) OPRM1TACR3KCNH2
SCHEMBL4668565 0.82 CYP2C9 (0.44) OPRM1TMEM97SIGMAR1TACR3MEN1
SCHEMBL4665931 0.81 TRPV4 (0.51) OPRM1TMEM97SIGMAR1TACR3KCNH2

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 OPRM1 21/4885TMEM97 644/4885SIGMAR1 194/4885

“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.