SCHEMBL19435232

SCHEMBL19435232

C/C(=C\CN1CCC(CCc2ccc3c(n2)NCCC3)C1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.60
ITGB3 P05106 12/20 0.60
ITGB5 P18084 12/20 0.60
ITGB6 P18564 11/20 0.60
ITGB1 P05556 4/20 0.60
ITGB8 P26012 3/20 0.60
KCNH2 Q12809 2/20 0.60

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
SCHEMBL17633617 0.86 ITGAV (0.59) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL17633618 0.86 ITGAV (0.59) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL20904207 0.86 ITGAV (0.57) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL19384558 0.86 ITGAV (0.59) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL22043499 0.84 ITGAV (0.53) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL19384603 0.83 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL19384509 0.83 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL19384511 0.83 ITGAV (0.56) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL22110205 0.82 ITGAV (0.54) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL29744295 0.81 ITGAV (0.62) ITGAVITGB3ITGB5ITGB6ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197894-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
US-10513517-B2 Naphthyridine derivatives as alpha V beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-12-24 US disclosed
US-20190048005-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-14 US disclosed
US-10144733-B2 Naphthyridine derivatives as alpha v beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 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 (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-10513517-B2 Naphthyridine derivatives as alpha V beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases ITGB1, ITGB3, ITGA1 ITGAV 4/4885ITGB3 2/4885ITGB5 11/4885
US-20170291899-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES ITGB1, ITGB3, ITGA1 ITGAV 4/4885ITGB3 2/4885ITGB5 11/4885
US-20190048005-A1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF E.G. FIBROTIC DISEASES ITGB1, ITGB3, ITGA1 ITGAV 4/4885ITGB3 2/4885ITGB5 11/4885
US-10144733-B2 Naphthyridine derivatives as alpha v beta 6 integrin antagonists for the treatment of E.G. fibrotic diseases ITGB1, ITGB3, ITGA1 ITGAV 4/4885ITGB3 2/4885ITGB5 11/4885

“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.