SCHEMBL13928680

SCHEMBL13928680

CC(C)Cc1ccc(NC(=O)[C@@H](N)CCCNC(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.54
▸ NPY1R P25929 6/20 0.54
▸ NPY2R P49146 4/20 0.54
▸ NPY5R Q15761 4/20 0.54
▸ TRPV1 Q8NER1 3/20 0.47
▸ SPHK1 Q9NYA1 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SPHK2 Q9NRA0 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL20715717 0.90 TRPV1 (0.49) NPY4RNPY1RNPY2RNPY5RTRPV1
SCHEMBL18867987 0.86 SPHK1 (0.49) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL8768680 0.82 LTA4H (0.47) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL2033471 0.81 LNPEP (0.44) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL20715656 0.81 LTA4H (0.58) SPHK1GAAMAPTCRHBPCRHR2
SCHEMBL13751369 0.81 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RSPHK1
SCHEMBL20715888 0.80 GAA (0.56) TRPV1SPHK1GAAMAPTCRHBP
Ibuprofen SCHEMBL43029 0.79 PTGS1 (0.57) NPY4RNPY1RNPY2RNPY5RTRPV1
Ibuprofen SCHEMBL43030 0.79 PTGS1 (0.57) NPY4RNPY1RNPY2RNPY5RTRPV1
SCHEMBL16572313 0.79 SPHK1 (0.55) SPHK1SPHK2

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-20090036650-A1 Compounds and methods for peptide synthesis BIOGEN IDEC MA INC. 2009-02-05 — — US disclosed
US-20090036650-A1 Compounds and methods for peptide synthesis BIOGEN IDEC MA INC. 2009-02-05 — — 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-20090036650-A1 Compounds and methods for peptide synthesis PTMS, NPPA, DNPEP NPY4R 761/4885NPY1R 1007/4885NPY2R 1286/4885

“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.

Send feedback