SCHEMBL6362164

SCHEMBL6362164

N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NRP1 O14786 2/20 0.45
▸ OPRM1 P35372 7/20 0.44
▸ OPRK1 P41145 7/20 0.44
▸ NTSR2 O95665 2/20 0.43
▸ NTSR1 P30989 2/20 0.43
▸ ACE P12821 1/20 0.42
▸ NPY4R P50391 3/20 0.42
▸ NPY1R P25929 2/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ F2R P25116 2/20 0.40

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
SCHEMBL30422984 0.94 ACE (0.47) NRP1OPRM1OPRK1NTSR2NTSR1
SCHEMBL29906667 0.92 NRP1 (0.52) NRP1OPRM1OPRK1NTSR2NTSR1
SCHEMBL30552516 0.92 ACE (0.49) NRP1OPRM1OPRK1NTSR2NTSR1
SCHEMBL29442101 0.92 EPHA2 (0.45) NRP1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30173928 0.91 EPHA2 (0.45) OPRM1OPRK1NTSR2NTSR1NPY4R
SCHEMBL29872595 0.90 NRP1 (0.54) NRP1OPRM1OPRK1NTSR2NTSR1
SCHEMBL30909415 0.90 ACE (0.44) NRP1OPRM1OPRK1ACE
SCHEMBL30392004 0.89 ACE (0.49) NRP1NTSR2NTSR1ACEDPP4
SCHEMBL29906654 0.89 NRP1 (0.50) NRP1OPRM1OPRK1NTSR2NTSR1
SCHEMBL29721451 0.89 ACE (0.45) NRP1OPRM1OPRK1NTSR2NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 — — 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-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 NRP1 4766/4885OPRM1 2287/4885OPRK1 970/4885

“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.

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