SCHEMBL2949575

SCHEMBL2949575

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C(Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
GPR119 Q8TDV5 8/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
DHODH Q02127 1/20 0.42
PARP1 P09874 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
USP30 Q70CQ3 2/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL27773232 0.95 ABHD6 (0.43) ABHD6DAGLAGPR119NR1H2NR1H3
SCHEMBL2946591 0.78 SLC6A4 (0.56) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL31330699 0.77 NPC1 (0.56) GPR119NPC1RAB9AL3MBTL1
SCHEMBL2946903 0.76 SLC6A4 (0.46) ABHD6DAGLAGPR119NR1H2NR1H3
SCHEMBL2948211 0.76 SLC6A2 (0.42) ABHD6DAGLANR1H2NR1H3PARP1
SCHEMBL23854712 0.73 TMEM97 (0.56) PARP1
SCHEMBL21800237 0.73 TMEM97 (0.56) PARP1
SCHEMBL8236259 0.72 GPR119 (0.52) GPR119NR1H2JAK2JAK1SMARCA2
SCHEMBL21360338 0.72 GPR119 (0.52) GPR119NR1H2JAK2JAK1SMARCA2
SCHEMBL31484639 0.72 GPR119 (0.52) GPR119PARP1JAK2JAK1SMARCA2

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 5 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
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
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 ABHD6 2851/4885DAGLA 4198/4885GPR119 216/4885

“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.