SCHEMBL2946903

SCHEMBL2946903

CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]cc(C#N)c3c2)C(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 4/20 0.46
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
GPR119 Q8TDV5 4/20 0.39
PARP1 P09874 1/20 0.39
ALK Q9UM73 1/20 0.37
SLC6A2 P23975 3/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
NSD2 O96028 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL27752370 0.88 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2HTR1AHTR1D
SCHEMBL2946591 0.83 SLC6A4 (0.56) SLC6A4SLC6A3ABHD6DAGLANR1H2
SCHEMBL2945622 0.80 HTR6 (0.43) ABHD6DAGLANR1H2NR1H3GPR119
SCHEMBL2949575 0.76 ABHD6 (0.44) ABHD6DAGLANR1H2NR1H3GPR119
SCHEMBL27773232 0.75 ABHD6 (0.43) ABHD6DAGLANR1H2NR1H3GPR119
SCHEMBL18838004 0.75 GPR119 (0.46) ABHD6DAGLANR1H2NR1H3GPR119
SCHEMBL2951669 0.72 HTR6 (0.45) ABHD6DAGLANR1H2NR1H3GPR119
SCHEMBL2948211 0.72 SLC6A2 (0.42) SLC6A4SLC6A3ABHD6DAGLANR1H2
SCHEMBL443134 0.71 SLC6A2 (0.42) SLC6A4SLC6A3GPR119SLC6A2HTR1A
SCHEMBL19838409 0.71 RET (0.48) SLC6A4SLC6A3GPR119SLC6A2MAPT

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 11 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
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
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 SLC6A4 1438/4885SLC6A3 1264/4885ABHD6 2851/4885

“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.