SCHEMBL4997486

SCHEMBL4997486

COC(=O)C(NC(=O)c1c(C[N+]2([O-])CCOCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.52
TACR2 P21452 9/20 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
CYP3A4 P08684 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
OPRM1 P35372 1/20 0.46

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
SCHEMBL4665958 0.92 TACR3 (0.55) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4665293 0.91 TACR3 (0.54) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL14567577 0.90 TACR3 (0.53) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL5004662 0.89 TACR3 (0.54) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4776384 0.88 TACR3 (0.53) TACR3TACR2OPRM1
SCHEMBL5001147 0.86 TACR3 (0.69) TACR3TACR2TSHRMEN1ALDH1A1
SCHEMBL14086258 0.84 TACR3 (0.56) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4665867 0.83 TACR3 (0.63) TACR3TACR2CYP2C9
SCHEMBL14567557 0.82 TACR3 (0.54) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4778600 0.82 TACR3 (0.66) TACR3TACR2OPRM1

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-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
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 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 2/4885TSHR 354/4885

“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.