SCHEMBL3368836

SCHEMBL3368836

O=C(CCc1ccc(C(=O)NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)cc1)NC1=NCCCN1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.76
ITGAV P06756 20/20 0.76
ITGA2B P08514 17/20 0.76

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
SCHEMBL7138885 1.00 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL6448110 0.92 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL3366048 0.92 ITGB3 (0.64) ITGB3ITGAVITGA2B
Acetic Acid SCHEMBL3369129 0.91 ITGB3 (0.64) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL3366046 0.91 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL3370168 0.90 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL6016177 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7216246 0.85 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL3366686 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL6972652 0.80 ITGB3 (0.61) ITGB3ITGAVITGA2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326847-B1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE AVENTIS PHARMA GMBH (DE) 2010-05-05 EP claimed
EP-0820991-B1 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AG (DE) 2007-08-29 EP claimed
US-6867213-B2 (2S)-2-(adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrhydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-15 US claimed
US-20040039006-A1 (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-26 US claimed
EP-1326847-A1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE Aventis Pharma Deutschland GmbH (DE) 2003-07-16 EP claimed
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2003-03-13 US claimed
US-6399620-B1 (2S)-2-(1-ADAMANTYL-METHYLOXYCARBONYLAMINO)-3-(4-(3-GUANIDINO -CARBONYL-PROPYLOXY)PHENYL)PROPIONIC ACID; ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS AVENTIS PHARMA S.A. (DE) 2002-06-04 US claimed
WO-2002030910-A1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-18 WO claimed
EP-1197488-A1 (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use Aventis Pharma Deutschland GmbH (DE) 2002-04-17 EP claimed
EP-1326847-B1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE AVENTIS PHARMA GMBH (DE) 2010-05-05 EP disclosed
US-7348333-B2 Cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. (FR) 2008-03-25 US disclosed
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2008-01-24 US disclosed
EP-0820991-B1 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AG (DE) 2007-08-29 EP disclosed
US-6867213-B2 (2S)-2-(adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrhydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-15 US disclosed
EP-1326847-A1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE Aventis Pharma Deutschland GmbH (DE) 2003-07-16 EP disclosed
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2003-03-13 US disclosed
US-6399620-B1 (2S)-2-(1-ADAMANTYL-METHYLOXYCARBONYLAMINO)-3-(4-(3-GUANIDINO -CARBONYL-PROPYLOXY)PHENYL)PROPIONIC ACID; ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS AVENTIS PHARMA S.A. (DE) 2002-06-04 US disclosed
WO-2002030910-A1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-18 WO disclosed
EP-1197488-A1 (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use Aventis Pharma Deutschland GmbH (DE) 2002-04-17 EP disclosed
EP-0820991-A2 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-28 EP 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-20040039006-A1 (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use CALCRL, CALCR, CHRNA1 ITGB3 153/4885ITGAV 223/4885ITGA2B 101/4885
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, ADGRE5, CALCR ITGB3 536/4885ITGAV 737/4885ITGA2B 379/4885
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, CALCRL, ADGRE5 ITGB3 545/4885ITGAV 684/4885ITGA2B 384/4885

“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.