SCHEMBL4208495

SCHEMBL4208495

COCOc1ccccc1-c1cc(-c2cccc(C(=O)NCCN(C(=O)O)C(C)(C)C)c2)c(C#N)c(NC(=O)c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 16/20 0.55
FYN P06241 2/20 0.42
UGCG Q16739 1/20 0.41
IKBKB O14920 1/20 0.39

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
SCHEMBL4207282 0.92 KISS1R (0.59) KISS1R
SCHEMBL4205483 0.88 KISS1R (0.58) KISS1R
SCHEMBL5013998 0.88 KISS1R (0.60) KISS1RUGCGIKBKB
SCHEMBL4208756 0.88 KISS1R (0.60) KISS1RIKBKB
SCHEMBL4197534 0.88 KISS1R (0.58) KISS1RFYN
SCHEMBL4199932 0.87 KISS1R (0.52) KISS1RFYN
SCHEMBL4205143 0.86 KISS1R (0.58) KISS1R
SCHEMBL4206321 0.86 KISS1R (0.67) KISS1R
SCHEMBL4203447 0.86 KISS1R (0.53) KISS1R
SCHEMBL4205518 0.86 KISS1R (0.51) KISS1RFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R KISS1R 16/4885FYN 4812/4885UGCG 4666/4885

“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.