SCHEMBL6445346

SCHEMBL6445346

CN(C)CCC(C=O)C(C(N)=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.42
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.38
AOC3 Q16853 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSG P08311 1/20 0.35
HTR1B P28222 1/20 0.35
ACP3 P15309 1/20 0.35

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
SCHEMBL6709448 0.82 UTS2R (0.41) UTS2RALOX5ALDH1A1AOC3CYP1A2
SCHEMBL6451545 0.79 KIF11 (0.42) ALDH1A1CYP2C9CYP2C19ACP3
SCHEMBL6444654 0.78 AOC3 (0.40) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL1665813 0.75 ALDH1A1 (0.55) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL7295452 0.73 ALDH1A1 (0.42) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL6444059 0.72 ALOX5 (0.40) ALOX5ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL9734748 0.72 UTS2R (0.44) UTS2RALDH1A1AOC3CYP2C9CYP2C19
SCHEMBL18860719 0.71 HTR1B (0.45) UTS2RALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL6243896 0.70 ALDH1A1 (0.53) ALOX5ALDH1A1AOC3CYP1A2CYP2C9
SCHEMBL6709447 0.69 CTNNB1 (0.43) UTS2RCYP1A2CYP2C19

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
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 UTS2R 2684/4885ALOX5 1684/4885ALDH1A1 889/4885

“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.