SCHEMBL6129246

SCHEMBL6129246

CC1=C(N2CCCC2)C(=O)C(C)C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31
ACHE P22303 2/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1674748 0.80 SMN1; SMN2 (0.33) GPR55SMN1; SMN2
SCHEMBL20446843 0.80 SMN1; SMN2 (0.33) GPR55SMN1; SMN2
SCHEMBL2806741 0.75
SCHEMBL6129249 0.72 L3MBTL1 (0.32) L3MBTL1GAAALDH1A1POLBMAPT
SCHEMBL8461903 0.72 ACHE (0.35) ACHE
SCHEMBL10446742 0.66 APAF1 (0.39) L3MBTL1GAAGPR55ALDH1A1POLB
SCHEMBL3458804 0.65 SMN1; SMN2 (0.39) GPR55ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL9644150 0.65 ALDH1A1 (0.32) L3MBTL1GAAALDH1A1POLBMAPT
SCHEMBL120459 0.64 SMN1; SMN2 (0.40) L3MBTL1GAAGPR55ALDH1A1POLB
SCHEMBL469461 0.63 L3MBTL1 (0.37) L3MBTL1GAAALDH1A1POLBMAPT

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 11 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
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
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-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 (2 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 L3MBTL1 3770/4885GAA 3674/4885GPR55 946/4885
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same ECH1, KMO, PKN1 L3MBTL1 3305/4885GAA 3280/4885GPR55 1868/4885

“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.