SCHEMBL4602265

SCHEMBL4602265

CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc[n+]([O-])c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.76
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
TACR2 P21452 5/20 0.60
TSHR P16473 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
NFKB1 P19838 1/20 0.59
MTOR P42345 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL14015159 0.89 TACR3 (0.83) TACR3LMNATP53TACR2TSHR
SCHEMBL14015183 0.87 TACR3 (0.77) TACR3TACR2
SCHEMBL4464383 0.87 TACR3 (1.00) TACR3LMNATP53TACR2TSHR
SCHEMBL4477689 0.87 TACR3 (1.00) TACR3LMNATP53TACR2TSHR
SCHEMBL4477684 0.87 TACR3 (1.00) TACR3LMNATP53TACR2TSHR
SCHEMBL5106892 0.86 TACR3 (0.78) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL14015202 0.81 TACR3 (0.69) TACR3LMNATP53TACR2TSHR
SCHEMBL14094494 0.81 TACR3 (0.86) TACR3LMNATP53TACR2TSHR
SCHEMBL4602582 0.80 TACR3 (0.81) TACR3LMNATP53TACR2TSHR
SCHEMBL14015196 0.79 TACR3 (0.60) TACR3TP53TACR2TSHRMEN1

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
EP-1915363-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018469-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US 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 8/4885LMNA 3842/4885TP53 2252/4885

“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.