Sugi Predict

Sugi Predict / Compounds / SCHEMBL4667519

SCHEMBL4667519

SCHEMBL4667519

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 19/20 0.59
▸ TACR2 P21452 8/20 0.59
▸ TRPV4 Q9HBA0 2/20 0.57
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ FFAR4 Q5NUL3 1/20 0.55

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
SCHEMBL14073472 0.88 TACR3 (0.78) TACR3TACR2MEN1ALDH1A1TP53
SCHEMBL4665956 0.88 TACR3 (0.78) TACR3TACR2MEN1ALDH1A1TP53
SCHEMBL5004647 0.86 TACR3 (0.56) TACR3TACR2MEN1ALDH1A1TP53
SCHEMBL4667113 0.85 TACR3 (0.69) TACR3TACR2CYP2C9
SCHEMBL4665271 0.84 TACR3 (0.61) TACR3TACR2MEN1ALDH1A1TP53
SCHEMBL4773501 0.84 TACR3 (0.61) TACR3TACR2MEN1ALDH1A1TP53
SCHEMBL1581349 0.83 TACR3 (0.59) TACR3TACR2TRPV4CYP1A2CYP3A4
SCHEMBL1581160 0.83 TACR3 (0.77) TACR3TACR2TRPV4CYP1A2CYP3A4
SCHEMBL4667064 0.82 TACR3 (0.67) TACR3TACR2TRPV4CYP2C9OPRM1
SCHEMBL1581336 0.82 TACR3 (0.77) TACR3TACR2TRPV4OPRM1

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 6 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
EP-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 — — EP 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
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 2/4885TRPV4 720/4885

“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.