SCHEMBL5714149

SCHEMBL5714149

CC(C)Cc1ccc2c(c1)[C]CC(O)N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL5713720 0.84 GABRA1 (0.36) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL5713719 0.81 ESR1 (0.34) ESR1
SCHEMBL5713857 0.78 RNASEH1 (0.33) NPC1RAB9AALDH1A1PTGS1PTGS2
SCHEMBL5714144 0.73 GABRA1 (0.41) GABRA1GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL5714188 0.72 GABRA1 (0.40) GABRA1GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL5714197 0.72 GABRA1 (0.40) GABRA1GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL5714062 0.70 GABRA1 (0.37) GABRA1GABRB2MEN1POLBKMT2A
SCHEMBL5713832 0.69 GABRA1 (0.33) GABRA1GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL5713802 0.68 TRIM24 (0.43) GABRA1GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL5713620 0.65 ALDH1A1 (0.33) ALDH1A1POLB

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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US 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 GABRA1 3601/4885GABRB2 2654/4885NPC1 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.