SCHEMBL14009581

SCHEMBL14009581

CC(NC(=O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.68
TACR3 P29371 15/20 0.66
TACR2 P21452 14/20 0.66
OPRM1 P35372 6/20 0.66
TRPV4 Q9HBA0 2/20 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
SCHEMBL4635944 0.92 TACR3 (0.65) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL14009547 0.90 TACR3 (0.63) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL14009586 0.90 CYP2C9 (0.68) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL14009568 0.86 TACR3 (0.65) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL5420737 0.85 TACR3 (0.71) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL14009548 0.84 TACR3 (0.62) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL1581445 0.84 TACR3 (0.69) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL1581261 0.83 TACR3 (0.68) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL5908992 0.83 TACR3 (0.68) CYP2C9TACR3TACR2OPRM1TRPV4
SCHEMBL5909008 0.83 TACR3 (0.68) CYP2C9TACR3TACR2OPRM1TRPV4

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 CYP2C9 1365/4885TACR3 12/4885TACR2 9/4885

“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.