SCHEMBL4007879

SCHEMBL4007879

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.37
ITGA5 P08648 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGB2 P05107 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGAL P20701 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.31
PRKCD Q05655 4/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRB3 P28472 1/20 0.30
OPRD1 P41143 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL4015001 0.85 ITGB1 (0.39) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL12148580 0.76
SCHEMBL5440308 0.72 TSHR (0.36) ALDH1A1TSHRKDM4ECYP3A4GABRB3
SCHEMBL11095779 0.72
SCHEMBL5924293 0.71 ROCK2 (0.32)
SCHEMBL3113044 0.71 PDE4A (0.33) ALDH1A1TSHRCYP3A4
SCHEMBL3113037 0.71 PDE4A (0.33) ALDH1A1TSHRCYP3A4
SCHEMBL3117803 0.71 PDE4A (0.33) ALDH1A1TSHRCYP3A4
SCHEMBL14314366 0.70
SCHEMBL5768296 0.70

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 ITGB1 626/4885ITGA5 1001/4885ITGB3 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.