SCHEMBL6446326

SCHEMBL6446326

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.44
MMP9 P14780 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
METAP2 P50579 5/20 0.39
NLN Q9BYT8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
METAP1 P53582 1/20 0.38
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 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
SCHEMBL6446865 0.82 CTNNB1 (0.49) CTNNB1MMP9CYP1A2MMEACE
SCHEMBL6444377 0.82 CTNNB1 (0.46) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL6448366 0.81 TDP1 (0.54) CTNNB1MMP9CYP1A2CYP2C19MME
SCHEMBL9666915 0.81 CYP2D6 (0.47) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL7294849 0.80 CTNNB1 (0.44) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL6448980 0.79 CTNNB1 (0.46) CTNNB1MMP9CYP1A2MMEACE
SCHEMBL6743982 0.79 CTNNB1 (0.51) CTNNB1MMP9CYP1A2CYP2D6CYP2C19
SCHEMBL7313406 0.77 KMT2A (0.48) CTNNB1MMEACETDP1L3MBTL1
SCHEMBL7276360 0.77 MMP9 (0.45) CTNNB1MMP9MMEACECPA1
SCHEMBL6448451 0.76 HTR1B (0.43) CTNNB1MMP9CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
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
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 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
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

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 CTNNB1 1728/4885MMP9 26/4885CYP1A2 1864/4885

“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.