SCHEMBL1401068

SCHEMBL1401068

CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)N)C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.53
TACR1 P25103 3/20 0.38
OPRD1 P41143 1/20 0.37

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
SCHEMBL1401070 0.90 GHSR (0.52) GHSRTACR1OPRD1
SCHEMBL1401071 0.90 GHSR (0.52) GHSRTACR1OPRD1
SCHEMBL866609 0.90 GHSR (0.44) GHSRTACR1OPRD1
SCHEMBL867797 0.88 GHSR (0.56) GHSRTACR1OPRD1
SCHEMBL867796 0.88 GHSR (0.56) GHSRTACR1OPRD1
SCHEMBL1401210 0.87 GHSR (0.56) GHSRTACR1OPRD1
SCHEMBL1401184 0.87 GHSR (0.56) GHSRTACR1OPRD1
SCHEMBL867658 0.86 GHSR (0.55) GHSRTACR1OPRD1
SCHEMBL867659 0.86 GHSR (0.55) GHSRTACR1OPRD1
SCHEMBL1401356 0.86 GHSR (0.55) GHSRTACR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-6919315-B1 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-07-19 US claimed
US-8394833-B2 Methods of treating emesis using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2013-03-12 US disclosed
US-8288427-B2 Methods of treating emesis using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2012-10-16 US disclosed
US-20120232113-A1 METHODS OF TREATING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2012-09-13 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-20100087381-A1 Method of Stimulating the Motility of the Gastrointestinal System Using Growth Hormone Secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2010-04-08 US 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
US-20080300194-A1 Methods of treating emesis using growth hormone secretagogues SAPPHIRE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080207640-A1 Method of treating cell proliferative disorders using growth hormone secretagogues SAPPHIRE THERAPEUTICS (US) 2008-08-28 US disclosed
US-20070191283-A1 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues REJUVENON CORPORATION 2007-08-16 US disclosed
US-20050261201-A1 Method of reducing C-reactive protein using growth hormone secretagogues REJUVENON CORPORATION (US) 2005-11-24 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
US-6919315-B1 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-07-19 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 (7 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-20050261201-A1 Method of reducing C-reactive protein using growth hormone secretagogues CETP, FABP7, TGFB1 GHSR 14/4885TACR1 274/4885OPRD1 3955/4885
US-20120232113-A1 METHODS OF TREATING EMESIS USING GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, CRH GHSR 1/4885TACR1 306/4885OPRD1 3939/4885
US-20080300194-A1 Methods of treating emesis using growth hormone secretagogues GHSR, GHRHR, CRH GHSR 1/4885TACR1 306/4885OPRD1 3939/4885
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 1/4885TACR1 2691/4885OPRD1 681/4885
US-20100087381-A1 Method of Stimulating the Motility of the Gastrointestinal System Using Growth Hormone Secretagogues GHSR, GHRHR, MLNR GHSR 1/4885TACR1 142/4885OPRD1 57/4885
US-20080207640-A1 Method of treating cell proliferative disorders using growth hormone secretagogues GHSR, GHRHR, SSTR5 GHSR 1/4885TACR1 342/4885OPRD1 4711/4885
US-20070191283-A1 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues GHSR, GHRHR, MLNR GHSR 1/4885TACR1 142/4885OPRD1 57/4885

“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.