Sugi Predict

Sugi Predict / Compounds / SCHEMBL868529

SCHEMBL868529

SCHEMBL868529

CN(C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)/C=C/CC1(N)CCC1)[C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.38
▸ REN P00797 1/20 0.38
▸ PYGL P06737 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ VHL P40337 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ CAPN1 P07384 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ UGCG Q16739 1/20 0.34

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
SCHEMBL10039205 0.94 GAA (0.42) RENOPRK1GAAMEN1KMT2A
SCHEMBL867706 0.89 GHSR (0.40) CYP51A1RENPYGLF2
SCHEMBL15533171 0.89 GHSR (0.40) CYP51A1RENPYGLF2
SCHEMBL867707 0.89 GHSR (0.40) CYP51A1RENPYGLF2
SCHEMBL10039187 0.82 GHSR (0.40) GAA
SCHEMBL3361699 0.81 CYP51A1 (0.46) CYP51A1RENPYGLGAAF2
SCHEMBL13374464 0.81 GHSR (0.39) CYP51A1OPRK1F2
SCHEMBL16624606 0.80 GHSR (0.39) CYP51A1RENPYGL
SCHEMBL7896416 0.80 GHSR (0.45) CYP51A1F2TACR1
SCHEMBL867607 0.80 GHSR (0.45) CYP51A1F2TACR1

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
EP-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 — — EP claimed
US-20120077745-A1 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2012-03-29 — — US disclosed
US-8039457-B2 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2011-10-18 — — US disclosed
EP-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 — — EP disclosed
US-7576062-B2 Administering a patient an effective amount of (2E)-4-(1-Aminocyclobutyl)but-2-enoic acid N-((1R)-1-{N-[(1R)-1-benzyl-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylcarbamoyl}-2-(biphenyl-4-yl)ethyl)-N-methylamide; treat the medical disorders resulting from a deficiency in growth hormone NOVO NORDISK A/S (DK) 2009-08-18 — — US disclosed
WO-2008124183-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-10-16 — — WO disclosed
WO-2008100448-A2 METHOD OF TREATING CELL PROLIFERATIVE DISORDERS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-08-21 — — 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 (1 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-20120077745-A1 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues GHSR, GHRHR, MLNR CYP51A1 2293/4885REN 267/4885PYGL 469/4885

“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.