SCHEMBL8039387

SCHEMBL8039387

CC(C)CCCc1ccc2c(n1)NCCO2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 17/20 0.40
ITGB3 P05106 15/20 0.40
ITGB1 P05556 2/20 0.38
ITGA5 P08648 1/20 0.38
ITGB6 P18564 4/20 0.36
ITGA2B P08514 2/20 0.35
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGB8 P26012 1/20 0.34

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
SCHEMBL8172614 0.85 ITGAV (0.38) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL12807108 0.83 KCNH2 (0.42) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL26538782 0.81 ITGB3 (0.39) ITGAVITGB3ITGB1ITGA5PDE10A
SCHEMBL8325969 0.81 ITGAV (0.40) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL24440037 0.79 ITGAV (0.39) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL2494472 0.79 ITGAV (0.41) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL26457526 0.78 ALDH1A1 (0.40) ITGAVITGB3ITGB1ITGA5PDE10A
SCHEMBL6106216 0.76 ITGB3 (0.52) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL12807123 0.76 KCNH2 (0.41) ITGAVITGB3ITGB1ITGB6ITGA2B
SCHEMBL14476045 0.75 GRM5 (0.39) ITGAVITGB3ITGB1ITGA5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 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-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 ITGAV 9/4885ITGB3 5/4885ITGB1 2/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGAV 17/4885ITGB3 6/4885ITGB1 2/4885
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL ITGAV 9/4885ITGB3 12/4885ITGB1 2/4885
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ITGB1, ITGA2B, ITGB5 ITGAV 7/4885ITGB3 10/4885ITGB1 1/4885

“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.