SCHEMBL5713671

SCHEMBL5713671

CC(=O)N1CC[C]c2cc(C(C)(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.45
TRIM24 O15164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5714451 0.80 NOTUM (0.37) NOTUMHTTMEN1ALDH1A1KMT2A
SCHEMBL5714336 0.77 KDM4E (0.33) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A
SCHEMBL5714219 0.77 TRIM24 (0.40) NOTUMTRIM24SMN1; SMN2RAB9ACYP2C9
SCHEMBL13911918 0.75 NOTUM (0.76) NOTUMTRIM24SMN1; SMN2MAPTRAB9A
SCHEMBL5713802 0.74 TRIM24 (0.43) NOTUMTRIM24SMN1; SMN2RAB9ANPC1
SCHEMBL5713665 0.72 NOTUM (0.46) NOTUMTRIM24SMN1; SMN2HTTCYP3A4
SCHEMBL21024037 0.72 NOTUM (0.63) NOTUMTRIM24SMN1; SMN2CYP3A4CYP2C9
SCHEMBL10256093 0.72 NOTUM (0.63) NOTUMTRIM24SMN1; SMN2MAPTRAB9A
SCHEMBL18216842 0.71 NOTUM (0.60) NOTUMTRIM24MAPTMEN1KMT2A
SCHEMBL6328486 0.71 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 NOTUM 803/4885TRIM24 2924/4885SMN1; SMN2 894/4885

“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.