SCHEMBL4985145

SCHEMBL4985145

CC[C@H](NC(=O)c1c(CC#N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.75
TACR2 P21452 3/20 0.66
OPRM1 P35372 1/20 0.61

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
SCHEMBL4988606 0.91 TACR3 (0.80) TACR3TACR2OPRM1
SCHEMBL4668092 0.91 TACR3 (0.80) TACR3TACR2OPRM1
SCHEMBL4994642 0.83 TACR3 (0.75) TACR3
SCHEMBL4994650 0.83 TACR3 (0.75) TACR3
SCHEMBL4665600 0.82 TACR3 (0.65) TACR3TACR2OPRM1
SCHEMBL4998130 0.82 TACR3 (0.78) TACR3TACR2
SCHEMBL4669412 0.81 DHODH (0.51) TACR3
SCHEMBL4966074 0.81 TACR3 (0.74) TACR3TACR2
SCHEMBL4967704 0.81 TACR3 (0.74) TACR3TACR2
SCHEMBL1580969 0.81 TACR3 (0.82) 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 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 17/4885TACR2 22/4885OPRM1 158/4885

“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.