SCHEMBL3450134

SCHEMBL3450134

CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc3cc(Cl)ccc3o2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACKR3 P25106 1/20 0.46
GNRHR P30968 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
MAPK8 P45983 1/20 0.44
NR1D1 P20393 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
STS P08842 1/20 0.43
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
HDAC4 P56524 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
SCHEMBL4591847 1.00 NAMPT (0.51) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL3450135 1.00 NAMPT (0.51) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL29527235 0.94 KDM4E (0.58) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL22777318 0.94 KDM4E (0.58) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL4592410 0.85 NPC1 (0.49) NAMPTKMT2AHRH4HDAC3HDAC1
SCHEMBL22373791 0.85 HRH4 (0.52) HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL21819725 0.83 ATF4 (0.52) HRH4MAPK8NPC1RAB9ASTS
SCHEMBL29082741 0.81 KMT2A (0.55) NAMPTKMT2AHRH4NPC1RAB9A
SCHEMBL3448188 0.81 KDM4E (0.69) NAMPTKDM4EPKMMEN1KMT2A
SCHEMBL3448190 0.81 KDM4E (0.69) NAMPTKDM4EPKMMEN1KMT2A

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 NAMPT 2110/4885KDM4E 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.