SCHEMBL4010150

SCHEMBL4010150

CCCCC(C)CC1CC(=O)NC(CC(C)CCCC)CC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 1/20 0.35
ITGB2 P05107 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGAL P20701 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PRKCD Q05655 4/20 0.34
PRKCA P17252 2/20 0.33
SOAT1 P35610 6/20 0.33
SOAT2 O75908 4/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4007879 0.89 ITGB1 (0.37) ALDH1A1L3MBTL1ITGB3ITGB2ITGB1
SCHEMBL4015001 0.82 ITGB1 (0.39) ALDH1A1L3MBTL1ITGB3ITGB2ITGB1
SCHEMBL5450009 0.74 KDM4E (0.40) ALDH1A1PRKCDSOAT1SOAT2MAPT
SCHEMBL11095779 0.70
SCHEMBL4461377 0.70 ALDH1A1 (0.69) ALDH1A1L3MBTL1ITGB3ITGB2ITGB1
SCHEMBL28660448 0.68 ALDH1A1 (0.72) ALDH1A1L3MBTL1ITGB3ITGB2ITGB1
SCHEMBL28660449 0.68 ALDH1A1 (0.72) ALDH1A1L3MBTL1ITGB3ITGB2ITGB1
SCHEMBL4559467 0.68
SCHEMBL5768296 0.68
SCHEMBL14314366 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP claimed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 US claimed
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 US disclosed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 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-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1058/4885L3MBTL1 2397/4885ITGB3 921/4885

“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.