SCHEMBL4408693

SCHEMBL4408693

CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1ccc2ccccc2c1)C(=O)NC[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.49
OPRD1 P41143 1/20 0.41
F2 P00734 1/20 0.39
CYP51A1 Q16850 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL4408697 1.00 GHSR (0.49) GHSROPRD1F2CYP51A1DPP4
SCHEMBL867796 0.87 GHSR (0.56) GHSROPRD1F2CYP51A1
SCHEMBL867797 0.87 GHSR (0.56) GHSROPRD1F2CYP51A1
SCHEMBL6319127 0.85 GHSR (0.53) GHSR
SCHEMBL6325995 0.84 GHSR (0.54) GHSR
SCHEMBL14106527 0.83 GHSR (0.55) GHSROPRD1F2
SCHEMBL867815 0.82 GHSR (0.54) GHSROPRD1F2
SCHEMBL867816 0.82 GHSR (0.54) GHSROPRD1F2
SCHEMBL6318514 0.82 GHSR (0.52) GHSR
SCHEMBL1401210 0.80 GHSR (0.56) GHSROPRD1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050233981-A1 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 HELSINN HEALTHCARE SA (CH) 2005-10-20 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 (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-20050233981-A1 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 GHSR, GHRHR, MC2R GHSR 1/4885OPRD1 681/4885F2 1292/4885

“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.