SCHEMBL1398004

SCHEMBL1398004

CCOC(=O)c1cc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HRH3 Q9Y5N1 9/20 0.52
GPR119 Q8TDV5 3/20 0.51
BCHE P06276 1/20 0.51
MAOA P21397 1/20 0.51
ACHE P22303 1/20 0.51
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHEK2 O96017 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
Hydrochloric Acid SCHEMBL1397993 0.86 HRH3 (0.56) HRH3GPR119KMT2ACHEK2
SCHEMBL15642824 0.85 RAB9A (0.51) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3249504 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3249499 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL18331897 0.83 PDE4D (0.45) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL14205186 0.82 KDM4E (0.69) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1397942 0.82 HRH3 (0.68) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3248849 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1397970 0.80 HRH3 (0.74) HRH3GPR119MEN1KMT2A
SCHEMBL1375168 0.80 GPR119 (0.61) GPR119CHEK2

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
EP-1957479-B1 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7745479-B2 1,5-substituted indol-2-yl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-06-29 US disclosed
EP-1957479-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062999-A2 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 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-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives HRH4, HRH3, HRH2 KDM4E 810/4885ALDH1A1 509/4885HPGD 1057/4885

“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.