SCHEMBL21028817

SCHEMBL21028817

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](Oc2ccc(C#N)c(OC(F)(F)F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.37
▸ PGR P06401 2/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ KCNJ1 P48048 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL19833670 0.82 PGR (0.38) ARPGRKCNJ1KCNH2
SCHEMBL19643519 0.81 AR (0.35) ARPGR
SCHEMBL19643521 0.81 AR (0.35) ARPGR
SCHEMBL19833654 0.81 PGR (0.39) ARPGRKCNJ1KCNH2
SCHEMBL19833661 0.81 PGR (0.39) ARPGRKCNJ1KCNH2
SCHEMBL21029507 0.77 PGR (0.45) ARPGRKCNJ1KCNH2
SCHEMBL31680157 0.76 HTR1A (0.37) KCNH2
SCHEMBL31585416 0.74 SLC6A2 (0.55) KCNH2
SCHEMBL31498643 0.74 PGR (0.45) ARPGRKCNJ1KCNH2
SCHEMBL1980445 0.71 AR (0.51) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934278-B2 Compounds AUTIFONY THERAPEUTICS LIMITED (GB) 2021-03-02 — — US disclosed
US-20190161479-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2019-05-30 — — 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 (2 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-10934278-B2 Compounds KCNA3, KCNN3, KCND3 AR 3581/4885PGR 3901/4885GRM2 288/4885
US-20190161479-A1 NOVEL COMPOUNDS KCNN3, KCNA3, KCND3 AR 4286/4885PGR 4302/4885GRM2 294/4885

“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.

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