SCHEMBL3447693

SCHEMBL3447693

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(Br)o2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
GNRHR P30968 1/20 0.52
ACKR3 P25106 1/20 0.51
MAPK8 P45983 1/20 0.49
IDO1 P14902 2/20 0.48
TDO2 P48775 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 2/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
USP30 Q70CQ3 1/20 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
SCHEMBL3447689 1.00 KDM4E (0.57) KDM4EPKMGNRHRACKR3MAPK8
SCHEMBL4592808 0.83 HPGD (0.52) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4592805 0.83 HPGD (0.52) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13326532 0.83 KDM4E (0.60) KDM4EPKMGNRHRACKR3NAMPT
SCHEMBL14731327 0.83 KDM4E (0.69) KDM4EPKMACKR3IDO1TDO2
SCHEMBL3449150 0.81 ACKR3 (0.66) KDM4EPKMGNRHRACKR3IDO1
SCHEMBL4592230 0.81 ACKR3 (0.66) KDM4EPKMGNRHRACKR3IDO1
SCHEMBL3449148 0.81 ACKR3 (0.66) KDM4EPKMGNRHRACKR3IDO1
SCHEMBL18988022 0.79 USP30 (0.64) KDM4EPKMGNRHRACKR3NAMPT
SCHEMBL30624634 0.78 FPR2 (0.49) KDM4EPKMIDO1TDO2FPR3

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-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
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 KDM4E 2242/4885PKM 1858/4885GNRHR 466/4885

“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.