SCHEMBL3448200

SCHEMBL3448200

COc1ccc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
PKM P14618 1/20 0.67
LMNA P02545 4/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 2/20 0.55
GPR119 Q8TDV5 2/20 0.52
ACKR3 P25106 1/20 0.52
KMT2A Q03164 2/20 0.50
TGFBR1 P36897 1/20 0.50
STS P08842 1/20 0.50
TP53 P04637 3/20 0.49
MMP1 P03956 2/20 0.49
MMP9 P14780 2/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
HDAC1 Q13547 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL3448205 1.00 KDM4E (0.67) KDM4EPKMLMNAMAPTSMN1; SMN2
SCHEMBL3448190 0.88 KDM4E (0.69) KDM4EPKMSMN1; SMN2ALDH1A1GPR119
SCHEMBL3448188 0.88 KDM4E (0.69) KDM4EPKMSMN1; SMN2ALDH1A1GPR119
SCHEMBL14731327 0.88 KDM4E (0.69) KDM4EPKMLMNAMAPTSMN1; SMN2
SCHEMBL14720440 0.86 KDM4E (0.76) KDM4EPKMLMNAALDH1A1GPR119
SCHEMBL4592644 0.85 HPGD (0.52) KDM4EPKMMAPTSMN1; SMN2ALDH1A1
SCHEMBL13575607 0.84 HTR4 (0.60) KDM4EPKMACKR3KMT2ATGFBR1
SCHEMBL13947430 0.82 KDM4E (0.80) KDM4EPKMLMNASMN1; SMN2GPR119
SCHEMBL15661860 0.82 KDM4E (0.80) KDM4EPKMLMNAMAPTSMN1; SMN2
SCHEMBL13056746 0.82 ACKR3 (0.60) KDM4EPKMLMNAALDH1A1GPR119

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 KDM4E 2242/4885PKM 1858/4885LMNA 373/4885

“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.