SCHEMBL4602280

SCHEMBL4602280

O=C(O)c1c(CCCc2ccccn2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 4/20 0.53
POLB P06746 1/20 0.53
DHODH Q02127 7/20 0.52
PTGFR P43088 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
TACR3 P29371 2/20 0.47
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL4601611 0.93 DHODH (0.55) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4601100 0.86 DHODH (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL5009870 0.82 TACR3 (0.57) TSHRPTGFRCYP3A4CYP2C19TACR3
SCHEMBL14009566 0.82 TACR3 (0.60) TSHRPTGFRCYP3A4CYP2C19TACR3
SCHEMBL4602735 0.81 PDE10A (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4601356 0.81 TACR3 (0.77) TSHRCYP3A4CYP2C19CYP2D6TACR3
SCHEMBL4601324 0.80 TACR3 (0.57) TSHRCYP3A4CYP2C19CYP2D6TACR3
SCHEMBL4602890 0.79 PTGFR (0.52) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL14009573 0.78 TACR3 (0.62) PTGFRCYP3A4TACR3
SCHEMBL27669534 0.78 DHODH (0.61) PDE10ATSHRLMNAPOLBDHODH

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-20080287492-A1 Alkylpyridyl Quinolines as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-20 US claimed
EP-1915361-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018466-A1 ALKYLPYRIDYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
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

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 PDE10A 1635/4885TSHR 228/4885LMNA 3173/4885

“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.