SCHEMBL4601611

SCHEMBL4601611

O=C(O)c1c(CCc2ccccn2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.55
PDE10A Q9Y233 3/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.52
PTGFR P43088 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TACR3 P29371 1/20 0.45
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL4602280 0.93 PDE10A (0.54) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4601100 0.88 DHODH (0.56) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5004770 0.81 TACR3 (0.56) CYP3A4CYP2D6CYP2C19TACR3
SCHEMBL14009578 0.81 TACR3 (0.58) CYP3A4CYP2D6CYP2C19TACR3
SCHEMBL4601922 0.81 DHODH (0.56) DHODHPDE10ALMNATSHRPOLB
SCHEMBL14009531 0.80 TACR3 (0.76) TSHRCYP3A4CYP2D6CYP2C19TACR3
SCHEMBL28250067 0.80 DHODH (0.61) DHODHPDE10ALMNATSHRPOLB
SCHEMBL27669534 0.80 DHODH (0.61) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4602540 0.79 TACR3 (0.56) TSHRCYP3A4CYP2D6TACR3KDM4E
SCHEMBL4601222 0.78 DHODH (0.52) DHODHPDE10ALMNATSHRPOLB

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 DHODH 3718/4885PDE10A 1635/4885LMNA 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.