SCHEMBL6129240

SCHEMBL6129240

CC1CCC=C(N2CCCC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL120831 0.81 KMT2A (0.33) APAF1TDP2NSD2HKDC1
SCHEMBL6129222 0.79 APAF1 (0.35) APAF1TDP2NSD2HKDC1
SCHEMBL23259904 0.76 CHRM3 (0.34) CHRM3
SCHEMBL23554968 0.73 ALDH1A1 (0.33) APAF1TDP2NSD2HKDC1
SCHEMBL6129237 0.68 MAPT (0.34)
SCHEMBL3000246 0.67
SCHEMBL16593622 0.67 CHRM3 (0.33) CHRM3
SCHEMBL12500834 0.66 APAF1 (0.35) APAF1TDP2NSD2HKDC1
SCHEMBL6129224 0.66 ALDH1A1 (0.32) APAF1TDP2NSD2HKDC1
SCHEMBL6129248 0.66 MAPT (0.45) APAF1TDP2NSD2HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050000529-A1 Method and compositions for imparting cooling effect to tobacco products VECTOR TOBACCO INC. 2005-01-06 US claimed
EP-1455609-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS Vector Tobacco Inc. (US) 2004-09-15 EP claimed
US-20040052828-A1 Consumable product including consumable component and alpha-keto enamine derivatives NESTEC S.A. (CH) 2004-03-18 US claimed
US-6592884-B2 Food, cosmetics, drugs; cooling skin, mouth NESTEC S.A. (CH) 2003-07-15 US claimed
WO-2003053176-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS VECTOR TOBACCO INC. (US) 2003-07-03 WO claimed
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same NESTEC S.A. (CH) 2002-02-21 US claimed
US-20120045448-A1 TRP-P8 ACTIVE COMPOUNDS AND THERAPEUTIC TREATMENT METHODS GENENTECH, INC. (US) 2012-02-23 US disclosed
US-20120045448-A1 TRP-P8 ACTIVE COMPOUNDS AND THERAPEUTIC TREATMENT METHODS GENENTECH, INC. (US) 2012-02-23 US disclosed
US-7893072-B2 Cool-genic compounds as anticarcinogenic agents promoting apoptosis and inhibit angiogenesis; antiproliferative agents GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7893072-B2 Cool-genic compounds as anticarcinogenic agents promoting apoptosis and inhibit angiogenesis; antiproliferative agents GENENTECH, INC. (US) 2011-02-22 US disclosed
US-20050000529-A1 Method and compositions for imparting cooling effect to tobacco products VECTOR TOBACCO INC. 2005-01-06 US disclosed
EP-1455609-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS Vector Tobacco Inc. (US) 2004-09-15 EP disclosed
US-20040052828-A1 Consumable product including consumable component and alpha-keto enamine derivatives NESTEC S.A. (CH) 2004-03-18 US disclosed
US-6592884-B2 Food, cosmetics, drugs; cooling skin, mouth NESTEC S.A. (CH) 2003-07-15 US disclosed
WO-2003053176-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS VECTOR TOBACCO INC. (US) 2003-07-03 WO disclosed
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same NESTEC S.A. (CH) 2002-02-21 US disclosed
EP-1157617-A2 Use of alpha-keto enamine derivatives as ingredients Société des Produits Nestlé S.A. (CH) 2001-11-28 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 (3 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-20040052828-A1 Consumable product including consumable component and alpha-keto enamine derivatives PKN2, OPRD1, PKN1 APAF1 3645/4885TDP2 2574/4885NSD2 415/4885
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same ECH1, KMO, PKN1 APAF1 3243/4885TDP2 2352/4885NSD2 814/4885
US-20120045448-A1 TRP-P8 ACTIVE COMPOUNDS AND THERAPEUTIC TREATMENT METHODS TSG101, TP53, BAX APAF1 548/4885TDP2 230/4885NSD2 4101/4885

“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.