SCHEMBL13801948

SCHEMBL13801948

COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3O)cc(-c3cccc(NC(=O)CCN)c3)c2C#N)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 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
Hydrochloric Acid SCHEMBL4210147 0.99 KISS1R (0.72) KISS1R
SCHEMBL13801913 0.92 KISS1R (0.70) KISS1R
Hydrochloric Acid SCHEMBL4215977 0.91 KISS1R (0.70) KISS1R
SCHEMBL13801944 0.90 KISS1R (0.82) KISS1R
Hydrochloric Acid SCHEMBL4208814 0.89 KISS1R (0.81) KISS1R
Hydrochloric Acid SCHEMBL4210165 0.88 KISS1R (0.56) KISS1R
SCHEMBL5015435 0.86 KISS1R (0.69) KISS1R
Hydrochloric Acid SCHEMBL4197302 0.86 KISS1R (0.68) KISS1R
Hydrochloric Acid SCHEMBL4210160 0.85 KISS1R (0.54) KISS1R
SCHEMBL5023411 0.85 KISS1R (0.56) KISS1R

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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP 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 16/4885

“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.