SCHEMBL3449128

SCHEMBL3449128

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.55
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PARP1 P09874 1/20 0.48
F10 P00742 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACKR3 P25106 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45

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
SCHEMBL3449130 1.00 USP30 (0.55) USP30HDAC4HDAC6PARP1F10
SCHEMBL8290168 0.94 USP30 (0.57) USP30HDAC4HDAC6PARP1F10
SCHEMBL4582592 0.83 F10 (0.42) USP30F10NPC1MAPK1HTT
SCHEMBL8288013 0.82 PARP1 (0.48) PARP1F10ALDH1A1ADORA3ADORA2A
SCHEMBL3305467 0.82 F10 (0.51) F10ALDH1A1MAPTMAPK1HTT
SCHEMBL3305464 0.82 F10 (0.51) F10ALDH1A1MAPTMAPK1HTT
SCHEMBL3449326 0.82 ACKR3 (0.65) F10ACKR3
SCHEMBL3449327 0.82 ACKR3 (0.65) F10ACKR3
SCHEMBL3306199 0.81 F10 (0.45) F10ALDH1A1MAPTMAPK1CNR1
SCHEMBL12124278 0.81 NPC1 (0.57) USP30HDAC4PARP1ALDH1A1NPC1

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-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed
US-20060247238-A1 Cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 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-20060247238-A1 Cyclic amines F12, F11, F2 USP30 3843/4885HDAC4 2637/4885HDAC6 2741/4885

“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.