SCHEMBL14047144

SCHEMBL14047144

C[C@H](CO)Oc1cccc(F)c1I

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.33
EGFR P00533 6/20 0.33
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
ITK Q08881 3/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TRPA1 O75762 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL18052212 0.76 ALDH1A1 (0.37) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL11303009 0.76 MTNR1A (0.47) ALDH1A1LMNAMTNR1AMTNR1BTRPA1
SCHEMBL15291914 0.75 KMT2A (0.54) ALDH1A1GAALMNAHPGDPPARG
SCHEMBL8274163 0.75 MTNR1A (0.38) ALDH1A1LMNAMTNR1AMTNR1BTRPA1
SCHEMBL13272188 0.75 MTNR1A (0.38) ALDH1A1LMNAMTNR1AMTNR1BTRPA1
SCHEMBL21630656 0.74 KMT2A (0.44) ALDH1A1GAALMNAPPARGPPARA
SCHEMBL30719260 0.74 KMT2A (0.44) ALDH1A1GAALMNAPPARGPPARA
SCHEMBL14092089 0.74 GCGR (0.38) ALDH1A1MCHR1
SCHEMBL14092167 0.74 NR5A1 (0.44) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL1805859 0.74 NFE2L2 (0.47) ALDH1A1LMNAHPGD

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 ALDH1A1 4297/4885GAA 1016/4885LMNA 3492/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR ALDH1A1 4245/4885GAA 1058/4885LMNA 3523/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR ALDH1A1 4297/4885GAA 1016/4885LMNA 3492/4885

“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.