SCHEMBL4618529

SCHEMBL4618529

COC(=O)C(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1cccc[n+]1[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.53
TACR2 P21452 8/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
TACR1 P25103 1/20 0.53
OPRM1 P35372 1/20 0.53
DHODH Q02127 2/20 0.47
PDE10A Q9Y233 1/20 0.47
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NFKB1 P19838 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5103486 0.91 TACR3 (0.54) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL5099623 0.90 TACR3 (0.53) TACR3TACR2
SCHEMBL5113313 0.90 TACR3 (0.57) TACR3TACR2CYP3A4
SCHEMBL4616686 0.86 TACR3 (0.58) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4603888 0.86 TACR3 (0.57) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL6450095 0.84 TACR3 (0.67) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL6450103 0.84 TACR3 (0.67) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4604055 0.83 TACR3 (0.71) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL5113264 0.83 TACR3 (0.56) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4614724 0.81 TACR3 (0.56) TACR3TACR2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US claimed
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1915363-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018469-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 TACR3 8/4885TACR2 6/4885CYP1A2 930/4885

“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.