SCHEMBL1401157

SCHEMBL1401157

CN(C)CC1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
OPRD1 P41143 1/20 0.41
YAP1 P46937 3/20 0.41
GHSR Q92847 2/20 0.40
TACR1 P25103 2/20 0.40
ADORA1 P30542 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
KMT2A Q03164 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL1401195 0.91 TACR1 (0.42) P2RX7OPRD1YAP1GHSRTACR1
SCHEMBL1401193 0.91 TACR1 (0.42) P2RX7OPRD1YAP1GHSRTACR1
SCHEMBL1401529 0.91 TACR1 (0.42) P2RX7OPRD1YAP1GHSRTACR1
SCHEMBL12809320 0.90 OPRD1 (0.42) P2RX7OPRD1GHSRTACR1ITGB3
SCHEMBL1401166 0.89 KMT2A (0.44) P2RX7YAP1ADORA1KMT2AMAPK1
SCHEMBL1401118 0.86 TACR1 (0.45) TACR1
SCHEMBL1401113 0.84 GHSR (0.53) P2RX7YAP1GHSRTACR1KMT2A
SCHEMBL1401111 0.84 GHSR (0.53) P2RX7YAP1GHSRTACR1KMT2A
SCHEMBL1401188 0.84 OPRD1 (0.44) P2RX7OPRD1GHSRTACR1CTSB
SCHEMBL867658 0.83 GHSR (0.55) P2RX7OPRD1GHSRTACR1

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 8 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 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-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-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
US-6919315-B1 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-07-19 US disclosed
EP-1100824-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2001-05-23 EP disclosed
WO-2000001726-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-01-13 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-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 P2RX7 4376/4885OPRD1 681/4885YAP1 2982/4885

“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.