SCHEMBL4552863

SCHEMBL4552863

COCCNC(=O)c1cccc(OBOc2cccc(C(=O)NCCOC)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 4/20 0.55
LOX P28300 2/20 0.55
LOXL2 Q9Y4K0 2/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
F10 P00742 2/20 0.49

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
SCHEMBL1490845 0.87 L3MBTL1 (0.61) ALDH1A1HPGDGAAMAPTNPC1
SCHEMBL30098865 0.87 ALDH1A1 (0.73) ALDH1A1HPGDGAAMAPTNPC1
SCHEMBL177578 0.84 SMN1; SMN2 (0.70) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL3995095 0.84 SMN1; SMN2 (0.52) ALDH1A1HPGDGAAMAPTNPC1
SCHEMBL4938777 0.82 GUSB (0.51) ALDH1A1HPGDGAAMAPTNPC1
SCHEMBL4046701 0.80 KMT2A (0.69) HPGDGAAKMT2ALMNAMEN1
SCHEMBL8737464 0.80 SMN1; SMN2 (0.61) ALDH1A1HPGDLOXLOXL2GAA
SCHEMBL23471363 0.79 HPGD (0.60) ALDH1A1HPGDLOXLOXL2GAA
SCHEMBL23470996 0.79 HPGD (0.65) ALDH1A1HPGDLOXLOXL2MAPT
SCHEMBL12867 0.79 NPC1 (0.64) ALDH1A1HPGDGAANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 ALDH1A1 304/4885HPGD 2114/4885LOX 296/4885

“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.