SCHEMBL2037116

SCHEMBL2037116

O=C(O)CCCCNc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.70
ITGAV P06756 17/20 0.70
ITGA2B P08514 4/20 0.57
ITGB5 P18084 3/20 0.54
ITGB6 P18564 2/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
ITGB1 P05556 1/20 0.51

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
SCHEMBL4717622 0.98 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4398060 0.98 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4394126 0.95 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL243759 0.88 ITGB3 (0.63) ITGB3ITGAVITGB5HDAC3HDAC4
Hydrochloric Acid SCHEMBL14914649 0.87 ITGB3 (0.61) ITGB3ITGAVITGB5HDAC3HDAC4
SCHEMBL10861718 0.84 CYP1A2 (0.66) ITGB3ITGAV
SCHEMBL30446097 0.84 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL8180590 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL18381352 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2843026 0.83 DRD3 (0.56) ITGB3ITGAVITGB5ITGB6ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106381092-A Environment-friendly all-purpose adhesive 无锡万能胶粘剂有限公司 2017-02-08 CN disclosed
CN-103524559-B Ester derivant of polysubstituted 4-methylamino benzenecarboximidamide and its production and use 西藏海思科药业集团股份有限公司 2016-09-28 CN disclosed
CN-105523999-A Dabigatran etexilate intermediate synthesis method CHONGQING PHARM RES INST CO 2016-04-27 CN disclosed
WO-2015124764-A1 SYNTHESIS PROCESS OF DABIGATRAN ETEXILATE MESYLATE, INTERMEDIATES OF THE PROCESS AND NOVEL POLYMORPH OF DABIGATRAN ETEXILATE ERREGIERRE S.P.A. (IT) 2015-08-27 WO disclosed
CN-103524559-A Ester derivatives of multi-substituted 4-methylamino-benzamidine as well as preparation method and application of ester derivatives TIBET HAISCO PHARMACEUTICAL GROUP CO LTD 2014-01-22 CN disclosed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
CN-103058920-A Preparation method of 3-(2-pyridineamino)ethyl propionate SHANGHAI INST TECHNOLOGY 2013-04-24 CN disclosed
CN-103058920-A Preparation method of 3-(2-pyridineamino)ethyl propionate SHANGHAI INST TECHNOLOGY 2013-04-24 CN disclosed
EP-2512523-A1 LABELLED INTEGRIN BINDERS GE Healthcare UK Limited (GB) 2012-10-24 EP disclosed
US-20120244074-A1 LABELLED INTEGRIN BINDERS GE HEALTHCARE LIMITED (GB) 2012-09-27 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
WO-2000048996-A2 β-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-08-24 WO disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
CN-1209063-A Vitronection receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20120244074-A1 LABELLED INTEGRIN BINDERS ITGAV, ITGB6, ITGA2B ITGB3 5/4885ITGAV 1/4885ITGA2B 3/4885

“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.