SCHEMBL2951669

SCHEMBL2951669

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)C(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
BCHE P06276 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
TGFBR1 P36897 3/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
STS P08842 1/20 0.37
MAPK8 P45983 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 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
SCHEMBL2945622 0.89 HTR6 (0.43) HTR6NR1H2NR1H3BCHEABHD6
SCHEMBL27773230 0.89 CA1 (0.41) HTR6CA1CA2CA4CA9
SCHEMBL12065525 0.79 HTR6 (0.44) HTR6NR1H2NR1H3BCHETGFBR1
SCHEMBL28782116 0.77 CA1 (0.40) HTR6CA1CA2CA4CA9
SCHEMBL2948211 0.73 SLC6A2 (0.42) NR1H2NR1H3ABHD6DAGLAJAK2
SCHEMBL441553 0.73 HTR6 (0.44) HTR6BCHETGFBR1STSGPR119
SCHEMBL2949575 0.72 ABHD6 (0.44) NR1H2NR1H3ABHD6DAGLAGPR119
SCHEMBL2946591 0.72 SLC6A4 (0.56) NR1H2NR1H3ABHD6DAGLATGFBR1
SCHEMBL2946903 0.72 SLC6A4 (0.46) NR1H2NR1H3ABHD6DAGLAGPR119
SCHEMBL27773232 0.72 ABHD6 (0.43) NR1H2NR1H3ABHD6DAGLAGPR119

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 17 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
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
EP-2061774-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2009-05-27 EP disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US 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
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (4 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-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HTR6 2841/4885NR1H2 554/4885NR1H3 560/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HTR6 2762/4885NR1H2 556/4885NR1H3 591/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR HTR6 2511/4885NR1H2 472/4885NR1H3 484/4885
US-20080045543-A1 Arylpiperazine derivatives and uses thereof CYP3A7, CYP3A5, HTR7 HTR6 143/4885NR1H2 337/4885NR1H3 713/4885

“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.