SCHEMBL5713802

SCHEMBL5713802

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 4/20 0.37
LMNA P02545 4/20 0.37
TSHR P16473 3/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
BRD4 O60885 1/20 0.35
CYP2C9 P11712 3/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 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 0.82 NOTUM (0.37) ALDH1A1MEN1POLBKMT2AL3MBTL1
SCHEMBL5714219 0.80 TRIM24 (0.40) TRIM24ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL5713832 0.75 GABRA1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5713799 0.75 TRIM24 (0.44) TRIM24ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5713671 0.74 NOTUM (0.45) TRIM24ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8570191 0.70 NOTUM (0.58) TRIM24ALDH1A1POLBNOTUMLMNA
SCHEMBL5714149 0.68 GABRA1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8540660 0.67 NOTUM (0.57) TRIM24ALDH1A1POLBNOTUMLMNA
SCHEMBL27955691 0.67 NOTUM (0.57) TRIM24ALDH1A1POLBNOTUMLMNA
SCHEMBL5713720 0.64 GABRA1 (0.36) LMNATSHRGABRA1GABRB2CYP2C9

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 TRIM24 2924/4885ALDH1A1 2677/4885NPC1 1393/4885

“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.