SCHEMBL5100747

SCHEMBL5100747

COC(=O)C(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc[n+]([O-])c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.60
TACR2 P21452 6/20 0.60
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
NFKB1 P19838 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL5106476 0.91 TACR3 (0.62) TACR3TACR2CYP3A4TSHRKDM4E
SCHEMBL5103841 0.90 TACR3 (0.56) TACR3TACR2CYP3A4TSHRKDM4E
SCHEMBL5106921 0.90 TACR3 (0.56) TACR3TACR2CYP3A4TSHRKDM4E
SCHEMBL5113264 0.90 TACR3 (0.56) TACR3TACR2CYP3A4TSHRKDM4E
SCHEMBL4601554 0.86 TACR3 (0.79) TACR3TACR2CYP3A4TSHRMEN1
SCHEMBL5113313 0.83 TACR3 (0.57) TACR3TACR2CYP3A4
SCHEMBL4614454 0.83 TACR3 (0.64) TACR3TACR2CYP3A4TSHRKDM4E
SCHEMBL4603777 0.82 TACR3 (0.63) TACR3TACR2CYP3A4
SCHEMBL14611466 0.81 TACR3 (0.55) TACR3TACR2
SCHEMBL4616686 0.80 TACR3 (0.58) TACR3TACR2CYP3A4TSHRKDM4E

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-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
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 TACR3 8/4885TACR2 6/4885CYP3A4 355/4885

“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.