SCHEMBL7111184

SCHEMBL7111184

N=C(N)NCCC[C@H](NNS(=O)(=O)c1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.46
NPY1R P25929 8/20 0.46
NPY5R Q15761 8/20 0.46
NPY2R P49146 5/20 0.46
KISS1R Q969F8 3/20 0.43
FOLH1 Q04609 2/20 0.42
F2 P00734 2/20 0.41
TMPRSS6 Q8IU80 2/20 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
SCHEMBL7116210 0.94 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7116399 0.91 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7117913 0.91 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7124463 0.91 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7113842 0.89 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7115453 0.89 BMP1 (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7123004 0.88 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RF2
SCHEMBL7120129 0.86 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7130279 0.85 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7116695 0.85 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030144310-A1 Molecules specific for NPFF receptors and uses thereof H. LUNDBECK A/S (DK) 2003-07-31 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO disclosed
WO-2003026575-A2 MOLECULES SPECIFIC FOR NPFF RECEPTORS AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 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 (2 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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 NPY4R 137/4885NPY1R 112/4885NPY5R 159/4885
US-20030144310-A1 Molecules specific for NPFF receptors and uses thereof NPFFR1, NPFFR2, NPBWR1 NPY4R 240/4885NPY1R 170/4885NPY5R 372/4885

“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.