SCHEMBL314219

SCHEMBL314219

CC(C)(C)OC(=O)N1CCCC(Nc2ccc3[nH]ccc3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.50
ROCK2 O75116 3/20 0.47
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TGFBR1 P36897 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BTK Q06187 1/20 0.44
GFER P55789 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL312715 0.94 ALDH1A1 (0.53) USP30EPHX1ALDH1A1PARP1TGFBR1
SCHEMBL312418 0.88 ALDH1A1 (0.60) ROCK2EPHX1ALDH1A1TGFBR1NPC1
SCHEMBL5817971 0.84 ROCK2 (0.64) ROCK2
SCHEMBL312267 0.80 KAT2B (0.52) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL18937875 0.80 ALDH1A1 (0.57) USP30ALDH1A1KMT2ANPC1MAPT
SCHEMBL29234026 0.79 USP30 (0.50) USP30EPHX1ALDH1A1PARP1NPC1
SCHEMBL29234029 0.79 USP30 (0.50) USP30EPHX1ALDH1A1PARP1NPC1
SCHEMBL24596980 0.79 FPR2 (0.64) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL888994 0.79 FPR2 (0.64) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL24596918 0.79 FPR2 (0.64) USP30ALDH1A1NPC1MAPTMAPK1

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 4 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
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
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 USP30 3376/4885ROCK2 1685/4885EPHX1 1984/4885

“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.