SCHEMBL3981005

SCHEMBL3981005

C[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.69
ITGA2B P08514 13/20 0.69
F2 P00734 2/20 0.46
F10 P00742 2/20 0.46
ACE P12821 2/20 0.39
F2R P25116 2/20 0.37
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
ITGAV P06756 1/20 0.35

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
SCHEMBL9063434 1.00 ITGB3 (0.69) ITGB3ITGA2BF2F10ACE
SCHEMBL24322585 0.89 ITGB3 (0.66) ITGB3ITGA2BF2F10ACE
SCHEMBL6886518 0.82 ITGB3 (1.00) ITGB3ITGA2BF2F10ACE
SCHEMBL13039757 0.77 ITGB3 (0.71) ITGB3ITGA2BF2F10ACE
SCHEMBL9056746 0.74 ITGB3 (0.42) ITGB3ITGA2BF2R
SCHEMBL8915987 0.73 ITGB3 (0.48) ITGB3ITGA2BF2F10F2R
SCHEMBL7159970 0.72 ITGB3 (0.49) ITGB3ITGA2BF2F10ACE
SCHEMBL7502425 0.66 ITGB3 (0.79) ITGB3ITGA2BF2R
SCHEMBL7286054 0.65 ACHE (0.47) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7504932 0.65 ITGB3 (0.78) ITGB3ITGA2BF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560483-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2009-07-14 US claimed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO claimed
US-20040254182-A1 Enhanced propertied pharmaceuticals ROHM AND HAAS COMPANY 2004-12-16 US disclosed
EP-1272463-A1 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2003-01-08 EP disclosed
WO-2001054481-A2 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2001-08-02 WO disclosed
US-6210904-B1 DIAGNOSING FOR RISK OF THROMOCYTOPENIA BY DETECTING ABSENCE OF ASSOCIATION OF MONOCLONAL ANTIBODY WITH GLYCOPROTEIN IIB/IIA RECEPTOR:GLYCOPROTEIN IIB/IIA RECEPTOR ANTAGONIST COMPLEX MERCK & CO., INC. 2001-04-03 US disclosed
EP-1034256-A1 ANTICOAGULANT TEST Merck & Co., Inc. (US) 2000-09-13 EP disclosed
WO-1999019463-A1 ANTICOAGULANT TEST MERCK & CO., INC. (US) 1999-04-22 WO 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-20040254182-A1 Enhanced propertied pharmaceuticals ABCB1, ABCB11, ABCG2 ITGB3 2084/4885ITGA2B 1654/4885F2 875/4885

“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.