Sugi Predict

Sugi Predict / Compounds / SCHEMBL2948211

SCHEMBL2948211

SCHEMBL2948211

CC(C)(C)OC(=O)N1CCN(c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)C(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ABHD6 Q9BV23 1/20 0.42
▸ DAGLA Q9Y4D2 1/20 0.42
▸ BRD4 O60885 4/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL2952446 0.83 NR1H2 (0.60) SLC6A2SLC6A4SLC6A3ABHD6DAGLA
SCHEMBL2946591 0.79 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3ABHD6DAGLA
SCHEMBL2949575 0.76 ABHD6 (0.44) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL27773232 0.75 ABHD6 (0.43) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL19759000 0.73 ADAMTS5 (0.43) HDAC6ABCB1SMARCA2SMARCA4PBRM1
SCHEMBL20694910 0.73 ADAMTS5 (0.43) HDAC6ABCB1SMARCA2SMARCA4PBRM1
SCHEMBL2951669 0.73 HTR6 (0.45) ABHD6DAGLANR1H2NR1H3JAK2
SCHEMBL21360338 0.72 GPR119 (0.52) NR1H2JAK2JAK1SMARCA2SMARCA4
SCHEMBL8236259 0.72 GPR119 (0.52) NR1H2JAK2JAK1SMARCA2SMARCA4
SCHEMBL23854711 0.72 PARP1 (0.43) SLC6A4ABHD6DAGLAHDAC6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061774-B1 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-12-22 — — EP disclosed
EP-2061774-B1 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-12-22 — — EP disclosed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 — — US disclosed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 — — US disclosed
EP-2061774-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2009-05-27 — — EP disclosed
WO-2008019971-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 — — WO disclosed
WO-2008019971-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 — — WO disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 — — US disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 — — 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-20080045543-A1 Arylpiperazine derivatives and uses thereof CYP3A7, CYP3A5, HTR7 SLC6A2 1508/4885SLC6A4 1438/4885SLC6A3 1264/4885

“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.