SCHEMBL4665898

SCHEMBL4665898

CC(NC(=O)c1c(C[N+]2([O-])CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.65
TACR3 P29371 15/20 0.65
OPRM1 P35372 7/20 0.65
CYP2C9 P11712 2/20 0.51
TRPV4 Q9HBA0 3/20 0.49

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
SCHEMBL4996159 0.92 TACR3 (0.65) TACR2TACR3OPRM1CYP2C9TRPV4
SCHEMBL4773610 0.92 TACR3 (0.65) TACR2TACR3OPRM1CYP2C9TRPV4
SCHEMBL4665944 0.89 TACR3 (0.71) TACR2TACR3OPRM1CYP2C9TRPV4
SCHEMBL4665874 0.86 TACR3 (0.61) TACR2TACR3CYP2C9TRPV4
SCHEMBL5001051 0.85 TACR3 (0.57) TACR2TACR3OPRM1TRPV4
SCHEMBL28773316 0.84 TACR2 (0.85) TACR2TACR3OPRM1TRPV4
SCHEMBL4667069 0.83 TACR3 (0.47) TACR2TACR3OPRM1TRPV4
SCHEMBL4667100 0.82 TACR3 (0.68) TACR2TACR3OPRM1CYP2C9
SCHEMBL5420737 0.81 TACR3 (0.71) TACR2TACR3OPRM1CYP2C9TRPV4
SCHEMBL5004662 0.81 TACR3 (0.54) TACR2TACR3OPRM1CYP2C9

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 5 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
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

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 TACR2 2/4885TACR3 1/4885OPRM1 21/4885

“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.