SCHEMBL6442862

SCHEMBL6442862

CN(C)CCNC(=O)C([C]=O)Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.44
RAD52 P43351 1/20 0.43
MTNR1A P48039 2/20 0.42
OPRM1 P35372 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTNNB1 P35222 1/20 0.41
VNN1 O95497 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
SCHEMBL6447902 0.83 MMP9 (0.46) MMP9RAD52MTNR1AOPRM1CTNNB1
SCHEMBL9666962 0.83 CTNNB1 (0.52) MMP9RAD52MTNR1AOPRM1CTSS
SCHEMBL10389715 0.83 CTNNB1 (0.52) MMP9RAD52MTNR1AOPRM1CTSS
SCHEMBL9666969 0.83 CTNNB1 (0.52) MMP9RAD52MTNR1AOPRM1CTSS
SCHEMBL6442868 0.82 MMP9 (0.45) MMP9RAD52MTNR1AOPRM1
SCHEMBL9667010 0.80 CTNNB1 (0.48) MMP9MTNR1ACTSSCTSKCTNNB1
SCHEMBL6444647 0.79 CTSS (0.43) MMP9MTNR1ACTSSCTSKCTNNB1
SCHEMBL10391168 0.78 CTNNB1 (0.44) MMP9RAD52MTNR1ACTNNB1
SCHEMBL10391169 0.78 CTNNB1 (0.44) MMP9RAD52MTNR1ACTNNB1
SCHEMBL9665194 0.78 CTSS (0.47) MMP9MTNR1ACTSSCTSKCTNNB1

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 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 MMP9 26/4885RAD52 2336/4885MTNR1A 198/4885

“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.