SCHEMBL4805768

SCHEMBL4805768

O=C(O)CC1c2ccccc2C2CN(C(=O)CCCNc3ccccn3)CCC12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.48
ITGAV P06756 14/20 0.48
ITGA2B P08514 6/20 0.48
ITGB5 P18084 5/20 0.44
ITGB1 P05556 2/20 0.44
DPP4 P27487 2/20 0.40
GRIN2B Q13224 2/20 0.39
NOS2 P35228 1/20 0.36

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
SCHEMBL14195949 1.00 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14195945 1.00 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14195947 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL8487183 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14195948 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14224073 0.90 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL13344630 0.76 ITGB3 (0.54) ITGB3ITGAVITGA2BDPP4GRIN2B
SCHEMBL4716833 0.74 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL8501348 0.74 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL8486338 0.74 NPC1 (0.36) GRIN2BNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351711-B2 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-04-01 US disclosed
EP-1506779-B1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA NV (BE) 2006-07-12 EP disclosed
EP-1506779-B1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA NV (BE) 2006-07-12 EP disclosed
EP-1506779-A1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
EP-1506779-A1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20050026917-A1 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-02-03 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 (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-20050026917-A1 Tricyclic indanyls as integrin inhibitors ITGB1, ILK, ITGB2 ITGB3 5/4885ITGAV 6/4885ITGA2B 8/4885

“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.