SCHEMBL4602038

SCHEMBL4602038

CC(NC(=O)c1c(CCc2cccnc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 17/20 0.56
TACR2 P21452 6/20 0.54
TRPV4 Q9HBA0 2/20 0.53
LMNA P02545 1/20 0.52
OPRM1 P35372 2/20 0.50
PTGFR P43088 1/20 0.50

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
SCHEMBL14009563 0.94 TACR3 (0.58) TACR3TACR2TRPV4LMNAOPRM1
SCHEMBL14009546 0.91 TACR3 (0.55) TACR3TACR2TRPV4OPRM1
SCHEMBL14009550 0.89 TACR3 (0.59) TACR3TACR2TRPV4LMNAOPRM1
SCHEMBL14009556 0.89 TACR3 (0.74) TACR3TACR2OPRM1
SCHEMBL5008111 0.89 TACR3 (0.54) TACR3TACR2LMNAOPRM1PTGFR
SCHEMBL4603824 0.87 TACR3 (0.53) TACR3TACR2LMNA
SCHEMBL27725819 0.86 TACR3 (0.52) TACR3TACR2LMNAOPRM1PTGFR
SCHEMBL14009548 0.84 TACR3 (0.62) TACR3TACR2TRPV4LMNAOPRM1
SCHEMBL14009533 0.83 TACR3 (0.61) TACR3TACR2TRPV4LMNAOPRM1
SCHEMBL14009557 0.83 TACR3 (0.75) TACR3TACR2OPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.