SCHEMBL14009552

SCHEMBL14009552

CC(NC(=O)c1c(Cc2ccccn2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.57
TACR2 P21452 8/20 0.57
TRPV4 Q9HBA0 2/20 0.55
OPRM1 P35372 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TACR1 P25103 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL14009578 0.91 TACR3 (0.58) TACR3TACR2TRPV4OPRM1CYP1A2
SCHEMBL14009566 0.89 TACR3 (0.60) TACR3TACR2TRPV4OPRM1CYP1A2
SCHEMBL4602799 0.88 TACR3 (0.76) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL5005011 0.88 TACR3 (0.54) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL5005078 0.87 TACR3 (0.55) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL27746592 0.85 TACR3 (0.52) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL14610182 0.84 TACR3 (0.58) TACR3TACR2TRPV4OPRM1CYP1A2
SCHEMBL14009568 0.83 TACR3 (0.65) TACR3TACR2TRPV4OPRM1CYP2C9
SCHEMBL14009546 0.82 TACR3 (0.55) TACR3TACR2TRPV4OPRM1CYP2C9
SCHEMBL4601100 0.81 DHODH (0.56) CYP2D6CYP2C19

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 3 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
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 9/4885TRPV4 599/4885

“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.