SCHEMBL6418633

SCHEMBL6418633

O=C(CCc1ccccc1)N[C@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.51
CTSD P07339 2/20 0.49
MMP1 P03956 4/20 0.49
MMP2 P08253 4/20 0.49
MMP8 P22894 4/20 0.49
ADAMTS4 O75173 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
VIPR2 P41587 1/20 0.48
MAPT P10636 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL6418630 1.00 MMP9 (0.51) MMP9CTSDMMP1MMP2MMP8
SCHEMBL6418631 1.00 MMP9 (0.51) MMP9CTSDMMP1MMP2MMP8
SCHEMBL7301335 0.91 MMP9 (0.60) MMP9CTSDMMP1MMP2MMP8
SCHEMBL7301330 0.91 MMP9 (0.60) MMP9CTSDMMP1MMP2MMP8
SCHEMBL7174233 0.89 FFAR1 (0.52) MMP9CTSDMMP1MMP2MMP8
SCHEMBL7174229 0.89 FFAR1 (0.52) MMP9CTSDMMP1MMP2MMP8
SCHEMBL4859637 0.83 MMP9 (0.51) MMP9MMP1MMP2MMP8ADAMTS4
SCHEMBL4861084 0.83 MMP9 (0.51) MMP9MMP1MMP2MMP8ADAMTS4
SCHEMBL23343881 0.80 MMP9 (0.56) MMP9MMP1MMP2MMP8ADAMTS4
SCHEMBL1177439 0.80 MMP9 (0.53) MMP9MMP1MMP2MMP8ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-02-03 US disclosed
EP-1434580-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-07-07 EP disclosed
WO-2003030886-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC (US) 2003-04-17 WO disclosed
EP-0617968-B1 HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS MERCK & CO INC (US) 2003-01-08 EP disclosed
EP-0708762-B1 PROCESS FOR MAKING HIV PROTEASE INHIBITORS MERCK & CO INC (US) 2001-03-28 EP disclosed
EP-0541168-B1 HIV protease inhibitors useful for the treatment of aids MERCK & CO INC (US) 1998-03-11 EP disclosed
US-5717097-A N-(2(R)-HYDROXY-1(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-(HYDROXY) -5-SUBSTITUTED-N'-(T-BUTYLCARBAMOYL)PIPERAZINYL))PENTANEAMIDE COMPOUNDS MERCK & CO., INC. (US) 1998-02-10 US disclosed
US-5668132-A HIV Protease inhibitors useful for the treatment of AIDS MERCK & CO., INC. (US) 1997-09-16 US disclosed
US-5527799-A ADMINISTERING MIXTURE OF TWO COMPOUNDS AND OPTIONAL AZT MERCK & CO., INC. (US) 1996-06-18 US disclosed
US-5496948-A REACTING AMIDE ENOLATE WITH GLYCIDOL DERIVATIVE; AMINATION MERCK & CO., INC. (US) 1996-03-05 US disclosed
US-5491238-A Process for making HIV protease inhibitors MERCK & CO., INC. (US) 1996-02-13 US disclosed
US-5463067-A Reacting glycidol or glycidyl tosylate with amide in presence of strong base at low temperature MERCK & CO., INC. (US) 1995-10-31 US disclosed
US-5413999-A structure is piperazine containing amides MERCK & CO., INC. (US) 1995-05-09 US disclosed
WO-1994026717-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-11-24 WO disclosed
WO-1994022480-A1 HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-10-13 WO disclosed
EP-0617968-A1 HIV protease inhibitors in pharmaceutical combinant for the treatment of AIDS MERCK & CO. INC. (US) 1994-10-05 EP disclosed
WO-1993009096-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1993-05-13 WO disclosed
EP-0480714-A2 HIV protease inhibitors having symmetrical structure MERCK & CO. INC. (US) 1992-04-15 EP 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-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease BACE1, BACE2, APBA1 MMP9 869/4885CTSD 1038/4885MMP1 1028/4885

“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.