SCHEMBL6447790

SCHEMBL6447790

[CH2]C(Cc1cccc2ccccc12)C(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CTNNB1 P35222 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
VNN1 O95497 1/20 0.46
MMP9 P14780 3/20 0.45
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
SSTR4 P31391 1/20 0.42
MTNR1A P48039 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13575229 0.83 MME (0.47) MMEACECPA1ACE2CTNNB1
SCHEMBL6446064 0.81 CTNNB1 (0.50) MMEACECPA1ACE2CTNNB1
SCHEMBL9665198 0.81 MME (0.48) MMEACECPA1ACE2CTNNB1
SCHEMBL6444688 0.81 CTSS (0.47) MMEACECPA1ACE2CTNNB1
SCHEMBL9665194 0.81 CTSS (0.47) MMEACECPA1ACE2CTNNB1
SCHEMBL6444695 0.81 MME (0.48) MMEACECPA1ACE2CTNNB1
SCHEMBL6444409 0.79 CTNNB1 (0.54) CTNNB1MMP9TDP1HRH4MTNR1A
SCHEMBL6444518 0.78 MME (0.48) MMEACECPA1ACE2CTNNB1
SCHEMBL6447902 0.76 MMP9 (0.46) MMEACECPA1ACE2CTNNB1
SCHEMBL6447032 0.76 MMP9 (0.44) MMEACECPA1ACE2CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MME 11/4885ACE 29/4885CPA1 247/4885

“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.