SCHEMBL17629344

SCHEMBL17629344

O=C(O)N1CCC(CCc2ccc3c(n2)NCCC3)C1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.72
ITGAV P06756 20/20 0.72
ITGB5 P18084 20/20 0.72
ITGB1 P05556 1/20 0.72

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
SCHEMBL20305086 1.00 ITGB3 (0.72) ITGB3ITGAVITGB5ITGB1
SCHEMBL19384515 0.85 ITGAV (0.65) ITGB3ITGAVITGB5ITGB1
SCHEMBL17640900 0.85 ITGAV (0.65) ITGB3ITGAVITGB5ITGB1
SCHEMBL19399826 0.85 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB1
SCHEMBL19404121 0.84 ITGB3 (0.60) ITGB3ITGAVITGB5ITGB1
SCHEMBL23308999 0.83 ITGAV (0.59) ITGB3ITGAVITGB5ITGB1
SCHEMBL17629343 0.83 ITGB3 (0.60) ITGB3ITGAVITGB5ITGB1
SCHEMBL30822031 0.83 ITGB3 (0.60) ITGB3ITGAVITGB5ITGB1
SCHEMBL29744295 0.82 ITGAV (0.62) ITGB3ITGAVITGB5ITGB1
SCHEMBL20141850 0.82 ITGAV (0.57) ITGB3ITGAVITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043421-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2024-02-08 US disclosed
US-20210122747-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-04-29 US disclosed
US-10696672-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-06-30 US disclosed
EP-3197895-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-11 EP disclosed
EP-3558303-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2019-10-30 EP disclosed
US-20190322663-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-10-24 US disclosed
WO-2018119087-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2018-06-28 WO disclosed
EP-3197895-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-08-02 EP disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 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 (4 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-20240043421-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGB7 ITGB3 10/4885ITGAV 8/4885ITGB5 11/4885
US-10696672-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 ITGB3 13/4885ITGAV 4/4885ITGB5 9/4885
US-20210122747-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGAV ITGB3 13/4885ITGAV 3/4885ITGB5 9/4885
US-20190322663-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 ITGB3 13/4885ITGAV 4/4885ITGB5 9/4885

“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.