SCHEMBL2064607

SCHEMBL2064607

CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 5/20 0.58
NPY1R P25929 4/20 0.58
NPY2R P49146 4/20 0.58
OPRD1 P41143 5/20 0.57
OPRM1 P35372 2/20 0.57
MMP2 P08253 1/20 0.52
GNPAT O15228 1/20 0.52
NPY5R Q15761 2/20 0.51
ENPEP Q07075 2/20 0.51
SSTR3 P32745 1/20 0.51

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
SCHEMBL2064604 1.00 NPY4R (0.58) NPY4RNPY1RNPY2ROPRD1OPRM1
SCHEMBL30973663 0.95 OPRD1 (0.55) NPY4RNPY1RNPY2ROPRD1OPRM1
SCHEMBL30973665 0.95 OPRD1 (0.55) NPY4RNPY1RNPY2ROPRD1OPRM1
SCHEMBL3649802 0.95 NPY4R (0.67) NPY4RNPY1RNPY2ROPRD1OPRM1
SCHEMBL3649800 0.95 NPY4R (0.67) NPY4RNPY1RNPY2ROPRD1OPRM1
SCHEMBL30973669 0.94 OPRD1 (0.54) NPY4RNPY1RNPY2ROPRD1OPRM1
SCHEMBL29576811 0.94 NPY4R (0.59) NPY4RNPY1RNPY2ROPRD1MMP2
SCHEMBL29577087 0.94 NPY4R (0.59) NPY4RNPY1RNPY2ROPRD1MMP2
SCHEMBL30851358 0.92 NPY4R (0.63) NPY4RNPY1RNPY2RMMP2NPY5R
SCHEMBL30973680 0.91 GNPAT (0.59) OPRD1OPRM1MMP2GNPATSSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127130-A1 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-05-08 US disclosed
US-8629299-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2014-01-14 US disclosed
US-20130259802-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2013-10-03 US disclosed
US-8445721-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2013-05-21 US disclosed
US-20120171117-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2012-07-05 US disclosed
US-8148575-B2 Radiofluorinated compounds and their preparation HAMMERSMITH IMANET LIMITED (GB) 2012-04-03 US disclosed
US-20090087379-A1 Radiofluorinated Compounds and their Preparation HAMMERSMITH IMANET LIMITED (GB) 2009-04-02 US disclosed
EP-2010227-A2 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION Hammersmith Imanet Limited (GB) 2009-01-07 EP disclosed
WO-2007122488-A2 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION HAMMERSMITH IMANET LIMITED (GB) 2007-11-01 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 (4 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-20090087379-A1 Radiofluorinated Compounds and their Preparation PSMA5, MPI, PSMA3 NPY4R 2191/4885NPY1R 2272/4885NPY2R 2682/4885
US-20120171117-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION PSMA5, MPI, PSMA3 NPY4R 2191/4885NPY1R 2272/4885NPY2R 2682/4885
US-20140127130-A1 Radiofluorinated compounds and their preparation PSMA5, MPI, PSMA3 NPY4R 2191/4885NPY1R 2272/4885NPY2R 2682/4885
US-20130259802-A1 RADIOFLUORINATED COMPOUNDS AND THEIR PREPARATION PSMA5, MPI, PSMA3 NPY4R 2191/4885NPY1R 2272/4885NPY2R 2682/4885

“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.