SCHEMBL19405835

SCHEMBL19405835

CC(C)(C)[Si](C)(C)OCc1ccc2nc(C3CC(=O)C3)oc2c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ APP P05067 1/20 0.31
▸ THRB P10828 2/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ USP14 P54578 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ ACACB O00763 1/20 0.30

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
SCHEMBL19406054 0.84 POLB (0.34) GPR119POLBNPC1MEN1KMT2A
SCHEMBL9895355 0.75 PIK3CG (0.45) NPC1MEN1KMT2AAPPTHRB
SCHEMBL19405832 0.73 ACACA (0.43) GPR119ACACB
SCHEMBL23628683 0.67 S1PR1 (0.35) —
SCHEMBL11920525 0.65 ESR2 (0.47) USP14
SCHEMBL19406029 0.65 GAA (0.47) POLBNPC1MEN1KMT2AUSP14
SCHEMBL21492947 0.65 USP14 (0.37) POLBNPC1KMT2ALMNAUSP14
SCHEMBL21493197 0.64 BACE1 (0.34) POLBKMT2AUSP14
SCHEMBL27150670 0.64 TEC (0.35) CA12CA1CA9USP14
SCHEMBL31430559 0.64 IL6 (0.39) POLBNPC1MEN1KMT2ATP53

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-10301292-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-28 — — US disclosed
US-20180002322-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-04 — — US disclosed
EP-3225618-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-10-04 — — 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 (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-20180002322-A1 BICYCLIC COMPOUND ACACA, ACACB, ACAT1 GPR119 2265/4885POLB 984/4885NPC1 445/4885
US-10301292-B2 Bicyclic compound ACACA, ACACB, ACAT1 GPR119 2265/4885POLB 984/4885NPC1 445/4885

“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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