Sugi Predict

Sugi Predict / Compounds / SCHEMBL3349233

SCHEMBL3349233

SCHEMBL3349233

CCCCn1ccc2cc(C(=O)OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.51
▸ PLAU P00749 1/20 0.51
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ TUBB4A P04350 2/20 0.48
▸ TUBB P07437 2/20 0.48
▸ TUBA3C P0DPH7 2/20 0.48
▸ TUBA1B P68363 2/20 0.48
▸ TUBA4A P68366 2/20 0.48
▸ TUBB4B P68371 2/20 0.48
▸ TUBB3 Q13509 2/20 0.48
▸ TUBB2A Q13885 2/20 0.48
▸ TUBB8 Q3ZCM7 2/20 0.48
▸ TUBA3E Q6PEY2 2/20 0.48
▸ TUBA1A Q71U36 2/20 0.48
▸ TUBA1C Q9BQE3 2/20 0.48
▸ TUBB6 Q9BUF5 2/20 0.48
▸ TUBB2B Q9BVA1 2/20 0.48
▸ TUBB1 Q9H4B7 2/20 0.48

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
SCHEMBL845981 0.96 PLG (0.53) PLGPLAUMTNR1AMTNR1BKDM4E
SCHEMBL3352536 0.89 KDM4E (0.60) MTNR1AMTNR1BKDM4EALDH1A1POLB
SCHEMBL2324058 0.86 TUBB4A (0.62) MTNR1AMTNR1BKDM4ETUBB4ATUBB
SCHEMBL1809488 0.85 HDAC6 (0.51) PLGPLAUMTNR1AMTNR1BKDM4E
SCHEMBL1749895 0.85 PLA2G4A (0.59) PLGPLAUPLA2G4A
SCHEMBL13699049 0.83 KDM4E (0.55) MTNR1AMTNR1BKDM4ETUBB4ATUBB
SCHEMBL16741925 0.83 HTR2A (0.54) PLGPLAUMTNR1AMTNR1BKDM4E
SCHEMBL30527841 0.83 HTR2A (0.54) PLGPLAUMTNR1AMTNR1BKDM4E
SCHEMBL3144113 0.82 KDM4E (0.51) MTNR1AMTNR1BKDM4ETUBB4ATUBB
SCHEMBL21412510 0.82 KDM4E (0.46) PLGPLAUMTNR1AMTNR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — 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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 PLG 1861/4885PLAU 1549/4885MTNR1A 314/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP PLG 316/4885PLAU 808/4885MTNR1A 1047/4885

“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.