SCHEMBL4989018

SCHEMBL4989018

N#CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.75
CYP2C9 P11712 2/20 0.73

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
SCHEMBL4989012 1.00 TACR3 (0.75) TACR3CYP2C9
SCHEMBL4994642 0.97 TACR3 (0.75) TACR3CYP2C9
SCHEMBL4994650 0.97 TACR3 (0.75) TACR3CYP2C9
SCHEMBL8267598 0.89 TACR3 (0.78) TACR3CYP2C9
SCHEMBL1580871 0.86 CYP2C9 (0.76) TACR3CYP2C9
SCHEMBL4961358 0.86 TACR3 (0.82) TACR3CYP2C9
SCHEMBL4961350 0.86 TACR3 (0.82) TACR3CYP2C9
SCHEMBL1581362 0.85 TACR3 (0.79) TACR3CYP2C9
SCHEMBL4668563 0.85 CYP2C9 (0.77) TACR3CYP2C9
SCHEMBL14086061 0.85 CYP2C9 (0.74) TACR3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US claimed
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US disclosed
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US disclosed
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US 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-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists KCNQ3, KCNA3, KCNK3 TACR3 17/4885CYP2C9 1005/4885

“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.