SCHEMBL6366206

SCHEMBL6366206

N=C(N)NCCCC(N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.59
NPY1R P25929 9/20 0.59
NPY5R Q15761 8/20 0.59
NPY2R P49146 5/20 0.59
SIRT5 Q9NXA8 1/20 0.43
NOD1 Q9Y239 1/20 0.40
DPP7 Q9UHL4 1/20 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
SCHEMBL14385894 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL16690639 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29947131 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29947199 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29947183 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL19267519 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL6366210 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL6362150 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL29707523 1.00 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL24121685 0.97 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RSIRT5

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 NPY4R 4751/4885NPY1R 4667/4885NPY5R 4168/4885

“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.