SCHEMBL924633

SCHEMBL924633

CC1(C)CCCN(C(=O)N2CCOC(C(=O)O)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.49
▸ LIPE Q05469 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSPA1A P0DMV8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PTPN7 P35236 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL4961092 0.83 PDK1 (0.58) PDK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27914158 0.78 ALDH1A1 (0.53) LIPEALDH1A1MEN1KMT2ACYP2C9
SCHEMBL1119076 0.73 PDK1 (0.62) PDK1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL27172500 0.73 PDK1 (0.62) PDK1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL3516619 0.72 PDK1 (0.66) PDK1SMN1; SMN2HTR2AHTR2CHRH1
SCHEMBL27669802 0.72 PDK1 (0.66) PDK1SMN1; SMN2HTR2AHTR2CHRH1
SCHEMBL4137922 0.72 PDK1 (0.66) PDK1SMN1; SMN2HTR2AHTR2CHRH1
SCHEMBL22741444 0.70 PDK1 (0.50) PDK1ALDH1A1SMN1; SMN2KDM4ERECQL
SCHEMBL29580264 0.70 PDK1 (0.53) PDK1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18546470 0.70 PDK1 (0.53) PDK1ALDH1A1MEN1KMT2AL3MBTL1

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
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 — — US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 — — US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 — — US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 — — EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 — — 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PDK1 2940/4885LIPE 1947/4885ALDH1A1 2087/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PDK1 2940/4885LIPE 1947/4885ALDH1A1 2087/4885

“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.

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