SCHEMBL6323174

SCHEMBL6323174

CC(C)(C)OC(=O)N1CCOCc2ccc(CCO)nc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CA P42336 10/20 0.35
MTOR P42345 4/20 0.35
CSNK2A1 P68400 2/20 0.35
CSNK2A2 P19784 1/20 0.35
PIK3R1 P27986 7/20 0.33
PIK3CD O00329 2/20 0.33
ESR2 Q92731 1/20 0.32
PIK3CB P42338 1/20 0.32
CHRM4 P08173 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8334943 0.90 USP2 (0.36) USP2SMN1; SMN2PIK3CAMTORCSNK2A1
SCHEMBL6327028 0.83 L3MBTL1 (0.38) USP2SMN1; SMN2PIK3CAMTORPIK3R1
SCHEMBL861986 0.83 MPO (0.40) ESR2CHRM4DRD2HTR7
SCHEMBL6318463 0.83 USP2 (0.40) USP2SMN1; SMN2PIK3CAMTORCSNK2A1
SCHEMBL4207156 0.82 CSNK2A1 (0.38) USP2SMN1; SMN2CSNK2A1CSNK2A2
SCHEMBL8334947 0.82 ALDH1A1 (0.32) USP2SMN1; SMN2PIK3CAMTORPIK3R1
SCHEMBL6266493 0.78 CSNK2A1 (0.35) USP2SMN1; SMN2CSNK2A1CSNK2A2CHRM4
SCHEMBL19953719 0.77 MPO (0.39) ESR2
SCHEMBL4929412 0.76 HDAC1 (0.35) CHRM4DRD2HTR7MEN1KMT2A
SCHEMBL21328581 0.76 MPO (0.39) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 USP2 4429/4885SMN1; SMN2 3478/4885PIK3CA 735/4885

“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.