SCHEMBL312004

SCHEMBL312004

CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
TGFBR1 P36897 8/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
BCHE P06276 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
STS P08842 1/20 0.44
PTPRB P23467 1/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL28790068 0.89 HTR6 (0.52) HTR6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL312862 0.86 SLC6A2 (0.51) TGFBR1SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL28790065 0.85 SLC6A2 (0.50) TGFBR1SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL10102903 0.83 HTR6 (0.52) HTR6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL18927009 0.83 HTR6 (0.55) HTR6TGFBR1BCHESTS
SCHEMBL314139 0.80 SLC6A2 (0.68) HTR6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL312519 0.80 JAK2 (0.45) TGFBR1SLC6A2SLC6A4SLC6A3JAK2
Trifluoroacetic Acid SCHEMBL312498 0.80 SLC6A2 (0.59) HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL27802769 0.79 JAK2 (0.44) TGFBR1SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL11927335 0.78 HTR6 (0.68) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
EP-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B HTR6 37/4885TGFBR1 3689/4885SLC6A2 8/4885

“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.