SCHEMBL3449148

SCHEMBL3449148

CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ccc(Br)s2)C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.66
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
IDO1 P14902 2/20 0.52
TDO2 P48775 1/20 0.52
NAMPT P43490 2/20 0.47
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
F10 P00742 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRD3 Q15059 1/20 0.42
GNRHR P30968 1/20 0.42
CYP2C9 P11712 1/20 0.42
IL1B P01584 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL4592230 1.00 ACKR3 (0.66) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL3449150 1.00 ACKR3 (0.66) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL3449327 0.88 ACKR3 (0.65) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL3449326 0.88 ACKR3 (0.65) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL3447821 0.85 ACKR3 (0.56) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL3447823 0.85 ACKR3 (0.56) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL4592664 0.85 ACKR3 (0.56) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL3448652 0.85 ACKR3 (0.55) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL4592403 0.85 ACKR3 (0.55) ACKR3KDM4EPKMIDO1TDO2
SCHEMBL3448647 0.85 ACKR3 (0.55) ACKR3KDM4EPKMIDO1TDO2

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-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
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 ACKR3 568/4885KDM4E 2242/4885PKM 1858/4885

“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.