SCHEMBL6129249

SCHEMBL6129249

CC1=C(N2CCCC2)C(=O)CC1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 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
TP53 P04637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2511084 0.75
SCHEMBL6129246 0.72 L3MBTL1 (0.32) L3MBTL1GAAMAPTALDH1A1POLB
SCHEMBL8461901 0.72 CA1 (0.31) CA1CA2CA4
SCHEMBL19141681 0.69 CA1 (0.35) CA1CA2CA4
SCHEMBL1674748 0.68 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL20446843 0.68 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL469461 0.67 L3MBTL1 (0.37) L3MBTL1GAAMAPTALDH1A1POLB
SCHEMBL10446742 0.66 APAF1 (0.39) L3MBTL1GAAMAPTALDH1A1POLB
SCHEMBL120459 0.64 SMN1; SMN2 (0.40) L3MBTL1GAAMAPTALDH1A1POLB
SCHEMBL13433876 0.63 APAF1 (0.35) L3MBTL1GAAMAPTALDH1A1POLB

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 3674/4885MAPT 4300/4885
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same ECH1, KMO, PKN1 L3MBTL1 3305/4885GAA 3280/4885MAPT 3994/4885

“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.