SCHEMBL5004643

SCHEMBL5004643

CN1CC[N+]([O-])(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC(CC#N)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.54
TACR2 P21452 8/20 0.54
OPRM1 P35372 4/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TACR1 P25103 1/20 0.49
CYP2C19 P33261 1/20 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
SCHEMBL4665726 0.91 TACR3 (0.56) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4667050 0.90 TACR3 (0.55) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4667100 0.90 TACR3 (0.68) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4667065 0.88 TACR3 (0.53) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL5001051 0.86 TACR3 (0.57) TACR3TACR2OPRM1
SCHEMBL4665874 0.83 TACR3 (0.61) TACR3TACR2CYP2C9
SCHEMBL5004662 0.83 TACR3 (0.54) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL5001041 0.83 TACR3 (0.62) TACR3TACR2OPRM1
SCHEMBL13995504 0.82 TACR3 (0.78) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL5001148 0.81 TACR3 (0.73) TACR3TACR2OPRM1CYP1A2CYP3A4

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 3 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
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 TACR3 1/4885TACR2 2/4885OPRM1 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.