SCHEMBL14046830

SCHEMBL14046830

OC[C@H]1CCc2cccc(I)c2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
NFKB1 P19838 7/20 0.34
NFKB2 Q00653 7/20 0.34
RELA Q04206 7/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
DRD4 P21917 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD1 P21728 1/20 0.33
CA2 P00918 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL7110632 0.82 CHRM3 (0.40) DRD2DRD3ALDH1A1HTR1AHTR1D
SCHEMBL7110625 0.82 CHRM3 (0.40) DRD2DRD3ALDH1A1HTR1AHTR1D
SCHEMBL14092141 0.81 L3MBTL1 (0.35) L3MBTL1NFKB1NFKB2RELACA2
SCHEMBL14046826 0.78 L3MBTL1 (0.36) L3MBTL1NFKB1NFKB2RELATDP1
SCHEMBL6626738 0.77 KDM4E (0.48) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL7114723 0.77 KDM4E (0.48) DRD2DRD3DRD4KDM4EALDH1A1
SCHEMBL7202944 0.75 MLNR (0.35) DRD2DRD3HTR1A
SCHEMBL12377772 0.74 L3MBTL1 (0.39) L3MBTL1NFKB1NFKB2RELATDP1
SCHEMBL7114678 0.74 KDM4E (0.38) L3MBTL1NFKB1NFKB2RELATDP1
SCHEMBL18505012 0.74 L3MBTL1 (0.39) L3MBTL1NFKB1NFKB2RELATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
EP-2118080-B1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME OCERA THERAPEUTICS INC (US) 2016-08-31 EP disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
WO-2008130464-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2008-10-30 WO disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 US disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 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 (3 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-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same GHSR, GHRHR, GIPR L3MBTL1 1333/4885NFKB1 3330/4885NFKB2 3306/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR L3MBTL1 1328/4885NFKB1 3414/4885NFKB2 3423/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR L3MBTL1 1333/4885NFKB1 3330/4885NFKB2 3306/4885

“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.