SCHEMBL406927

SCHEMBL406927

O=C(O)C1CCN(c2nnc(-c3ccccc3)o2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.56
BACE1 P56817 6/20 0.56
BCHE P06276 5/20 0.56
KDM4E B2RXH2 4/20 0.48
NOTUM Q6P988 2/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
NEK2 P51955 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL29988060 0.88 RAB9A (0.63) ACHEBACE1BCHEKDM4ENOTUM
SCHEMBL408423 0.85 ALDH1A1 (0.50) ACHEBACE1BCHEKDM4EMEN1
SCHEMBL20165656 0.78 RIPK1 (0.76)
SCHEMBL20165654 0.78 RIPK1 (0.76)
SCHEMBL406906 0.75 NPC1 (0.53) KDM4ECYP2C19ALDH1A1MAPK1NPC1
SCHEMBL440037 0.75 NPC1 (0.53) KDM4ECYP2C19ALDH1A1MAPK1NPC1
SCHEMBL1441358 0.74 RIPK1 (0.54) KDM4ENOTUMCYP2C19LMNAMEN1
SCHEMBL21384357 0.73 RAB9A (0.57) ACHEBACE1BCHEKDM4EMEN1
SCHEMBL5798722 0.72 NOTUM (0.65) KDM4ENOTUMCYP2C19MEN1ALDH1A1
SCHEMBL2040215 0.71 LMNA (0.66) KDM4ELMNAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ACHE 1000/4885BACE1 1521/4885BCHE 611/4885

“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.