SCHEMBL804852

SCHEMBL804852

CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NC[C@H]2CCc3cccc(c3O2)CCCNC1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.77
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57

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
SCHEMBL14092357 1.00 GHSR (0.77) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL20079231 0.97 GHSR (0.72) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL804854 0.97 GHSR (0.72) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL14092366 0.94 GHSR (0.69) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL14092408 0.90 GHSR (0.63) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL18517342 0.89 GHSR (0.62) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL804938 0.89 GHSR (0.87) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL14116359 0.88 GHSR (0.63) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL14046958 0.88 GHSR (0.64) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL14092355 0.88 GHSR (0.64) GHSRCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071412-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS FRASER GRAEME L (BE) 2012-03-22 US disclosed
US-20120071412-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS FRASER GRAEME L (BE) 2012-03-22 US disclosed
US-8088733-B2 Methods of using macrocyclic agonists of the ghrelin receptor for treatment of gastrointestinal motility disorders TRANZYME PHARMA INC. (CA) 2012-01-03 US disclosed
US-8088733-B2 Methods of using macrocyclic agonists of the ghrelin receptor for treatment of gastrointestinal motility disorders TRANZYME PHARMA INC. (CA) 2012-01-03 US 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
US-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS TRANZYME PHARMA INC. 2008-02-28 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-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS GHSR, GIPR, GHRHR GHSR 1/4885CYP3A4 1192/4885CYP2D6 719/4885
US-20120071412-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS GHSR, GIPR, GHRHR GHSR 1/4885CYP3A4 1192/4885CYP2D6 719/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR GHSR 1/4885CYP3A4 2898/4885CYP2D6 2807/4885

“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.