SCHEMBL4210784

SCHEMBL4210784

COCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@]3(C(C)(C)C)CCCN3C(=O)O)c2)c(C#N)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.48
CHUK O15111 1/20 0.44
KISS1R Q969F8 4/20 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
SCHEMBL4212678 0.87 KISS1R (0.56) KISS1R
SCHEMBL4207862 0.87 KISS1R (0.46) KISS1R
SCHEMBL4211555 0.87 KISS1R (0.45) KISS1R
SCHEMBL4199533 0.81 KISS1R (0.41) KISS1R
SCHEMBL5023364 0.81 IKBKB (0.48) IKBKBCHUKKISS1R
SCHEMBL4215090 0.80 KISS1R (0.49) KISS1R
SCHEMBL4209131 0.80 KISS1R (0.45) IKBKBKISS1R
SCHEMBL4210537 0.78 IKBKB (0.57) IKBKBCHUKKISS1R
SCHEMBL4210782 0.78 IKBKB (0.46) IKBKBCHUKKISS1R
SCHEMBL4202079 0.75 IKBKB (0.47) IKBKB

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 IKBKB 1068/4885CHUK 915/4885KISS1R 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.