SCHEMBL4615566

SCHEMBL4615566

COC(=O)C(NC(=O)c1c(CCc2ccncc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.56
TACR2 P21452 7/20 0.53
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
LMNA P02545 1/20 0.51
OPRM1 P35372 1/20 0.49

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
SCHEMBL4604372 0.94 TACR3 (0.57) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4603265 0.91 TACR3 (0.57) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL5004809 0.90 TACR3 (0.57) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL4603824 0.90 TACR3 (0.53) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4602540 0.87 TACR3 (0.56) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL14009550 0.86 TACR3 (0.59) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL6448747 0.85 TACR3 (0.72) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL6450084 0.85 TACR3 (0.72) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL4602002 0.85 TACR3 (0.54) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL5005339 0.85 TACR3 (0.58) TACR3TACR2TSHRMEN1ALDH1A1

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 7 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 claimed
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
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 9/4885TSHR 228/4885

“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.