SCHEMBL6441043

SCHEMBL6441043

CC(=O)N[C@@H](CCCCN)C(=O)NCC(CC1(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)CCCC1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.81
MME P08473 2/20 0.81
NPPA P01160 1/20 0.81
ECE1 P42892 1/20 0.81
GRIA1 P42261 1/20 0.47
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
GNPAT O15228 1/20 0.41
ERAP2 Q6P179 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
CHRND Q07001 5/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41

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
SCHEMBL7295371 0.91 MME (0.68) ACEMMENPPAECE1ITGB3
Sampatrilat SCHEMBL7301333 0.90 ECE1 (1.00) ACEMMENPPAECE1ITGB3
Sampatrilat SCHEMBL4567110 0.90 ECE1 (1.00) ACEMMENPPAECE1ITGB3
Sampatrilat SCHEMBL49066 0.90 ECE1 (1.00) ACEMMENPPAECE1ITGB3
SCHEMBL7293852 0.89 MME (0.77) ACEMMENPPAECE1NPY1R
SCHEMBL7293844 0.89 MME (0.77) ACEMMENPPAECE1NPY1R
SCHEMBL7293863 0.89 MME (0.77) ACEMMENPPAECE1NPY1R
SCHEMBL7300825 0.87 MME (0.71) ACEMMENPPAECE1GRIA1
SCHEMBL7300818 0.87 MME (0.71) ACEMMENPPAECE1GRIA1
SCHEMBL7302871 0.86 MME (0.82) ACEMMENPPAECE1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-03-31 US claimed
WO-2005016249-A2 COMPOSITIONS OF A CHROMENE OR PHENYL ACETIC ACID CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ACE INHIBITOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-02-24 WO claimed

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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage ACE, ACE2, AGTR2 ACE 1/4885MME 76/4885NPPA 1649/4885

“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.