SCHEMBL4601356

SCHEMBL4601356

CCC(NC(=O)c1c(CCCc2ccccn2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.77
TACR2 P21452 7/20 0.71
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 1/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HIF1A Q16665 1/20 0.67
FFAR4 Q5NUL3 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67

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
SCHEMBL14009531 0.94 TACR3 (0.76) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4602799 0.90 TACR3 (0.76) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL14009566 0.89 TACR3 (0.60) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL6447221 0.87 TACR3 (1.00) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL6447217 0.87 TACR3 (1.00) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL5009870 0.87 TACR3 (0.57) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4601324 0.86 TACR3 (0.57) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL14009572 0.86 TACR3 (0.79) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL6451946 0.85 TACR3 (1.00) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL6448681 0.85 TACR3 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1915361-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018466-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018466-A1 ALKYLPYRIDYL QUINOLINES 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-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ADORA3, KCNA3, TACR1 TACR3 12/4885TACR2 9/4885CYP1A2 756/4885

“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.