SCHEMBL7172016

SCHEMBL7172016

Nc1ccnc(NCCCOc2ccc3c(c2)Cc2ccccc2[C@H](CC(=O)O)C3)c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.81
ITGAV P06756 12/20 0.81
ITGA2B P08514 7/20 0.81
ITGB5 P18084 5/20 0.81
ITGB1 P05556 2/20 0.81
PPARD Q03181 6/20 0.43
HTR2A P28223 1/20 0.41
PPARA Q07869 2/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL7037993 1.00 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451419 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7038106 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7170011 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7171896 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6657173 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168382 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL244383 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL31321064 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30894723 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US claimed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US claimed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL ITGB3 153/4885ITGAV 168/4885ITGA2B 104/4885

“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.