SCHEMBL312862

SCHEMBL312862

CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PGR P06401 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GPR119 Q8TDV5 5/20 0.45
STS P08842 1/20 0.44
PTPRB P23467 1/20 0.43
PTPN11 Q06124 1/20 0.43
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
USP30 Q70CQ3 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL28790065 0.95 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3JAK2JAK1
SCHEMBL312004 0.86 HTR6 (0.51) SLC6A2SLC6A4SLC6A3JAK2JAK1
SCHEMBL3049915 0.82 MEN1 (0.48) MEN1KMT2AGPR119
SCHEMBL312092 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3JAK2JAK1
SCHEMBL312519 0.81 JAK2 (0.45) SLC6A2SLC6A4SLC6A3JAK2JAK1
SCHEMBL4309350 0.80 MEN1 (0.67) JAK2JAK1MEN1KMT2APGR
SCHEMBL27802769 0.80 JAK2 (0.44) SLC6A2SLC6A4SLC6A3JAK2JAK1
SCHEMBL4239118 0.79 GPR119 (0.56) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL4306735 0.77 KMT2A (0.57) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL4240396 0.77 ALDH1A1 (0.53) JAK2JAK1MEN1KMT2AGPR119

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
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
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 SLC6A2 8/4885SLC6A4 33/4885SLC6A3 28/4885

“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.